Embedded+Filter.ipynb

{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "d5db062a",
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd\n",
    "import numpy as np"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "cdf1e56f",
   "metadata": {},
   "outputs": [],
   "source": [
    "df = pd.read_csv('strcom_cfid_dropna.csv')\n",
    "df = df.drop(['Unnamed: 0'],axis=1)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "f316ff0c",
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>jml_bp_mult_atom_rad</th>\n",
       "      <th>jml_hfus_add_bp</th>\n",
       "      <th>jml_elec_aff_mult_voro_coord</th>\n",
       "      <th>jml_mol_vol_subs_atom_mass</th>\n",
       "      <th>jml_is_halogen</th>\n",
       "      <th>jml_atom_mass_subs_first_ion_en</th>\n",
       "      <th>jml_row</th>\n",
       "      <th>jml_mol_vol_mult_atom_mass</th>\n",
       "      <th>jml_voro_coord_divi_therm_cond</th>\n",
       "      <th>jml_voro_coord_subs_mp</th>\n",
       "      <th>...</th>\n",
       "      <th>band center</th>\n",
       "      <th>max ionic char</th>\n",
       "      <th>avg ionic char</th>\n",
       "      <th>HOMO_energy</th>\n",
       "      <th>LUMO_energy</th>\n",
       "      <th>gap_AO</th>\n",
       "      <th>dist from 1 clusters |APE| &lt; 0.010</th>\n",
       "      <th>dist from 3 clusters |APE| &lt; 0.010</th>\n",
       "      <th>dist from 5 clusters |APE| &lt; 0.010</th>\n",
       "      <th>piezo_cl</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>2049.453333</td>\n",
       "      <td>1310.884233</td>\n",
       "      <td>9.944000</td>\n",
       "      <td>-99.397890</td>\n",
       "      <td>0.333333</td>\n",
       "      <td>106.720787</td>\n",
       "      <td>5.000000</td>\n",
       "      <td>1944.377461</td>\n",
       "      <td>3.755619</td>\n",
       "      <td>-729.666667</td>\n",
       "      <td>...</td>\n",
       "      <td>5.653612</td>\n",
       "      <td>0.209607</td>\n",
       "      <td>0.038059</td>\n",
       "      <td>-0.267904</td>\n",
       "      <td>-0.204228</td>\n",
       "      <td>0.063676</td>\n",
       "      <td>0.701020</td>\n",
       "      <td>0.703350</td>\n",
       "      <td>0.710769</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>2522.626667</td>\n",
       "      <td>1782.214733</td>\n",
       "      <td>8.933333</td>\n",
       "      <td>-32.926260</td>\n",
       "      <td>0.333333</td>\n",
       "      <td>37.004750</td>\n",
       "      <td>3.333333</td>\n",
       "      <td>633.484450</td>\n",
       "      <td>187.496735</td>\n",
       "      <td>-986.466667</td>\n",
       "      <td>...</td>\n",
       "      <td>5.948123</td>\n",
       "      <td>0.792998</td>\n",
       "      <td>0.142625</td>\n",
       "      <td>-0.338381</td>\n",
       "      <td>-0.338381</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.042426</td>\n",
       "      <td>0.053001</td>\n",
       "      <td>0.061556</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>2203.761333</td>\n",
       "      <td>1645.883077</td>\n",
       "      <td>1.756667</td>\n",
       "      <td>-33.112400</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>33.227570</td>\n",
       "      <td>3.333333</td>\n",
       "      <td>404.210146</td>\n",
       "      <td>38.849978</td>\n",
       "      <td>-971.910000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.728818</td>\n",
       "      <td>0.820234</td>\n",
       "      <td>0.142420</td>\n",
       "      <td>-0.338381</td>\n",
       "      <td>-0.338381</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.043640</td>\n",
       "      <td>0.055786</td>\n",
       "      <td>0.063077</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>2354.261333</td>\n",
       "      <td>1706.887783</td>\n",
       "      <td>1.756667</td>\n",
       "      <td>-17.797733</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>20.108892</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>317.917999</td>\n",
       "      <td>38.847200</td>\n",
       "      <td>-1048.016667</td>\n",
       "      <td>...</td>\n",
       "      <td>6.310468</td>\n",
       "      <td>0.917619</td>\n",
       "      <td>0.214967</td>\n",
       "      <td>-0.415606</td>\n",
       "      <td>-0.205744</td>\n",
       "      <td>0.209862</td>\n",
       "      <td>0.659829</td>\n",
       "      <td>0.662359</td>\n",
       "      <td>0.663807</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>3351.411333</td>\n",
       "      <td>2367.576783</td>\n",
       "      <td>2.762000</td>\n",
       "      <td>-59.007823</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>65.232258</td>\n",
       "      <td>3.666667</td>\n",
       "      <td>795.380484</td>\n",
       "      <td>38.826578</td>\n",
       "      <td>-1288.640000</td>\n",
       "      <td>...</td>\n",
       "      <td>5.125398</td>\n",
       "      <td>0.792998</td>\n",
       "      <td>0.178436</td>\n",
       "      <td>-0.338381</td>\n",
       "      <td>-0.338381</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.027835</td>\n",
       "      <td>0.037396</td>\n",
       "      <td>0.045798</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2858</th>\n",
       "      <td>1706.496250</td>\n",
       "      <td>1231.100713</td>\n",
       "      <td>5.810000</td>\n",
       "      <td>-12.278451</td>\n",
       "      <td>0.250000</td>\n",
       "      <td>13.362209</td>\n",
       "      <td>2.500000</td>\n",
       "      <td>244.211142</td>\n",
       "      <td>59.865814</td>\n",
       "      <td>-586.630000</td>\n",
       "      <td>...</td>\n",
       "      <td>7.017906</td>\n",
       "      <td>0.894601</td>\n",
       "      <td>0.162920</td>\n",
       "      <td>-0.295049</td>\n",
       "      <td>-0.295049</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.578102</td>\n",
       "      <td>0.579302</td>\n",
       "      <td>0.581360</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2859</th>\n",
       "      <td>2434.392500</td>\n",
       "      <td>1781.624513</td>\n",
       "      <td>4.516250</td>\n",
       "      <td>-23.812375</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>28.220980</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>391.696152</td>\n",
       "      <td>28.315815</td>\n",
       "      <td>-740.850000</td>\n",
       "      <td>...</td>\n",
       "      <td>4.866179</td>\n",
       "      <td>0.779730</td>\n",
       "      <td>0.169250</td>\n",
       "      <td>-0.328019</td>\n",
       "      <td>-0.328019</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.028972</td>\n",
       "      <td>0.040004</td>\n",
       "      <td>0.045299</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2860</th>\n",
       "      <td>2448.367500</td>\n",
       "      <td>2285.136075</td>\n",
       "      <td>4.094250</td>\n",
       "      <td>-12.009025</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>13.155908</td>\n",
       "      <td>2.500000</td>\n",
       "      <td>206.899764</td>\n",
       "      <td>28.282723</td>\n",
       "      <td>-1523.372500</td>\n",
       "      <td>...</td>\n",
       "      <td>6.032056</td>\n",
       "      <td>0.779730</td>\n",
       "      <td>0.123519</td>\n",
       "      <td>-0.295049</td>\n",
       "      <td>-0.295049</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.048762</td>\n",
       "      <td>0.057012</td>\n",
       "      <td>0.061114</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2861</th>\n",
       "      <td>1706.496250</td>\n",
       "      <td>1231.100713</td>\n",
       "      <td>5.810000</td>\n",
       "      <td>-12.278451</td>\n",
       "      <td>0.250000</td>\n",
       "      <td>13.362209</td>\n",
       "      <td>2.500000</td>\n",
       "      <td>244.211142</td>\n",
       "      <td>59.865814</td>\n",
       "      <td>-586.630000</td>\n",
       "      <td>...</td>\n",
       "      <td>6.413407</td>\n",
       "      <td>0.894601</td>\n",
       "      <td>0.178934</td>\n",
       "      <td>-0.295049</td>\n",
       "      <td>-0.295049</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.444659</td>\n",
       "      <td>0.447249</td>\n",
       "      <td>0.449899</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2862</th>\n",
       "      <td>1494.745000</td>\n",
       "      <td>1103.124283</td>\n",
       "      <td>5.760000</td>\n",
       "      <td>-18.397601</td>\n",
       "      <td>0.333333</td>\n",
       "      <td>17.299851</td>\n",
       "      <td>2.666667</td>\n",
       "      <td>295.490917</td>\n",
       "      <td>79.781869</td>\n",
       "      <td>-634.276667</td>\n",
       "      <td>...</td>\n",
       "      <td>6.634710</td>\n",
       "      <td>0.685139</td>\n",
       "      <td>0.130658</td>\n",
       "      <td>-0.295049</td>\n",
       "      <td>-0.295049</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.320926</td>\n",
       "      <td>0.343287</td>\n",
       "      <td>0.366102</td>\n",
       "      <td>1</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2863 rows × 1924 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "      jml_bp_mult_atom_rad  jml_hfus_add_bp  jml_elec_aff_mult_voro_coord  \\\n",
       "0              2049.453333      1310.884233                      9.944000   \n",
       "1              2522.626667      1782.214733                      8.933333   \n",
       "2              2203.761333      1645.883077                      1.756667   \n",
       "3              2354.261333      1706.887783                      1.756667   \n",
       "4              3351.411333      2367.576783                      2.762000   \n",
       "...                    ...              ...                           ...   \n",
       "2858           1706.496250      1231.100713                      5.810000   \n",
       "2859           2434.392500      1781.624513                      4.516250   \n",
       "2860           2448.367500      2285.136075                      4.094250   \n",
       "2861           1706.496250      1231.100713                      5.810000   \n",
       "2862           1494.745000      1103.124283                      5.760000   \n",
       "\n",
       "      jml_mol_vol_subs_atom_mass  jml_is_halogen  \\\n",
       "0                     -99.397890        0.333333   \n",
       "1                     -32.926260        0.333333   \n",
       "2                     -33.112400        0.000000   \n",
       "3                     -17.797733        0.000000   \n",
       "4                     -59.007823        0.000000   \n",
       "...                          ...             ...   \n",
       "2858                  -12.278451        0.250000   \n",
       "2859                  -23.812375        0.000000   \n",
       "2860                  -12.009025        0.000000   \n",
       "2861                  -12.278451        0.250000   \n",
       "2862                  -18.397601        0.333333   \n",
       "\n",
       "      jml_atom_mass_subs_first_ion_en   jml_row  jml_mol_vol_mult_atom_mass  \\\n",
       "0                          106.720787  5.000000                 1944.377461   \n",
       "1                           37.004750  3.333333                  633.484450   \n",
       "2                           33.227570  3.333333                  404.210146   \n",
       "3                           20.108892  3.000000                  317.917999   \n",
       "4                           65.232258  3.666667                  795.380484   \n",
       "...                               ...       ...                         ...   \n",
       "2858                        13.362209  2.500000                  244.211142   \n",
       "2859                        28.220980  3.000000                  391.696152   \n",
       "2860                        13.155908  2.500000                  206.899764   \n",
       "2861                        13.362209  2.500000                  244.211142   \n",
       "2862                        17.299851  2.666667                  295.490917   \n",
       "\n",
       "      jml_voro_coord_divi_therm_cond  jml_voro_coord_subs_mp  ...  \\\n",
       "0                           3.755619             -729.666667  ...   \n",
       "1                         187.496735             -986.466667  ...   \n",
       "2                          38.849978             -971.910000  ...   \n",
       "3                          38.847200            -1048.016667  ...   \n",
       "4                          38.826578            -1288.640000  ...   \n",
       "...                              ...                     ...  ...   \n",
       "2858                       59.865814             -586.630000  ...   \n",
       "2859                       28.315815             -740.850000  ...   \n",
       "2860                       28.282723            -1523.372500  ...   \n",
       "2861                       59.865814             -586.630000  ...   \n",
       "2862                       79.781869             -634.276667  ...   \n",
       "\n",
       "      band center  max ionic char  avg ionic char  HOMO_energy  LUMO_energy  \\\n",
       "0        5.653612        0.209607        0.038059    -0.267904    -0.204228   \n",
       "1        5.948123        0.792998        0.142625    -0.338381    -0.338381   \n",
       "2        5.728818        0.820234        0.142420    -0.338381    -0.338381   \n",
       "3        6.310468        0.917619        0.214967    -0.415606    -0.205744   \n",
       "4        5.125398        0.792998        0.178436    -0.338381    -0.338381   \n",
       "...           ...             ...             ...          ...          ...   \n",
       "2858     7.017906        0.894601        0.162920    -0.295049    -0.295049   \n",
       "2859     4.866179        0.779730        0.169250    -0.328019    -0.328019   \n",
       "2860     6.032056        0.779730        0.123519    -0.295049    -0.295049   \n",
       "2861     6.413407        0.894601        0.178934    -0.295049    -0.295049   \n",
       "2862     6.634710        0.685139        0.130658    -0.295049    -0.295049   \n",
       "\n",
       "        gap_AO  dist from 1 clusters |APE| < 0.010  \\\n",
       "0     0.063676                            0.701020   \n",
       "1     0.000000                            0.042426   \n",
       "2     0.000000                            0.043640   \n",
       "3     0.209862                            0.659829   \n",
       "4     0.000000                            0.027835   \n",
       "...        ...                                 ...   \n",
       "2858  0.000000                            0.578102   \n",
       "2859  0.000000                            0.028972   \n",
       "2860  0.000000                            0.048762   \n",
       "2861  0.000000                            0.444659   \n",
       "2862  0.000000                            0.320926   \n",
       "\n",
       "      dist from 3 clusters |APE| < 0.010  dist from 5 clusters |APE| < 0.010  \\\n",
       "0                               0.703350                            0.710769   \n",
       "1                               0.053001                            0.061556   \n",
       "2                               0.055786                            0.063077   \n",
       "3                               0.662359                            0.663807   \n",
       "4                               0.037396                            0.045798   \n",
       "...                                  ...                                 ...   \n",
       "2858                            0.579302                            0.581360   \n",
       "2859                            0.040004                            0.045299   \n",
       "2860                            0.057012                            0.061114   \n",
       "2861                            0.447249                            0.449899   \n",
       "2862                            0.343287                            0.366102   \n",
       "\n",
       "      piezo_cl  \n",
       "0            0  \n",
       "1            0  \n",
       "2            0  \n",
       "3            0  \n",
       "4            1  \n",
       "...        ...  \n",
       "2858         0  \n",
       "2859         1  \n",
       "2860         1  \n",
       "2861         0  \n",
       "2862         1  \n",
       "\n",
       "[2863 rows x 1924 columns]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "338c711a",
   "metadata": {},
   "outputs": [],
   "source": [
    "y = df.iloc[:,1923].values\n",
    "X = df.iloc[:,0:1923].values\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "ceaae7e2",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Index(['jml_bp_mult_atom_rad', 'jml_hfus_add_bp',\n",
      "       'jml_elec_aff_mult_voro_coord', 'jml_mol_vol_subs_atom_mass',\n",
      "       'jml_is_halogen', 'jml_atom_mass_subs_first_ion_en', 'jml_row',\n",
      "       'jml_mol_vol_mult_atom_mass', 'jml_voro_coord_divi_therm_cond',\n",
      "       'jml_voro_coord_subs_mp',\n",
      "       ...\n",
      "       '10-norm', 'band center', 'max ionic char', 'avg ionic char',\n",
      "       'HOMO_energy', 'LUMO_energy', 'gap_AO',\n",
      "       'dist from 1 clusters |APE| < 0.010',\n",
      "       'dist from 3 clusters |APE| < 0.010',\n",
      "       'dist from 5 clusters |APE| < 0.010'],\n",
      "      dtype='object', length=1923)\n"
     ]
    }
   ],
   "source": [
    "feat_labels = df.columns[0:1923]\n",
    "print(feat_labels)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "29e6d0e4",
   "metadata": {},
   "outputs": [],
   "source": [
    "feat_labels = df.columns[0:1923]\n",
    "\n",
    "from sklearn.ensemble import RandomForestClassifier\n",
    "\n",
    "forest = RandomForestClassifier(n_estimators=10000, random_state=0, n_jobs=-1)\n",
    "forest.fit(X,y)\n",
    "\n",
    "importances = forest.feature_importances_\n",
    "indices = np.argsort(importances)[::-1]\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "56e91a3f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([0.00088553, 0.00053083, 0.00081549, ..., 0.00064388, 0.00092248,\n",
       "       0.00113405])"
      ]
     },
     "execution_count": 8,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "importances"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "89446e81",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([1695, 1903, 1564, ...,  371,  148,  270], dtype=int64)"
      ]
     },
     "execution_count": 9,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "indices"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "d17408c2",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      " 1) vpa                            0.003945\n",
      " 2) spacegroup_num                 0.003743\n",
      " 3) avg_dev neighbor distance variation 0.003734\n",
      " 4) density                        0.002915\n",
      " 5) jml_ndunfill                   0.002898\n",
      " 6) crystal_system_int             0.002673\n",
      " 7) jml_mol_vol_divi_polzbl        0.002528\n",
      " 8) maximum neighbor distance variation 0.002390\n",
      " 9) jml_first_ion_en_divi_hfus     0.002352\n",
      "10) jml_atom_rad_divi_hfus         0.002304\n",
      "11) jml_voro_coord_divi_hfus       0.002299\n",
      "12) range neighbor distance variation 0.002278\n",
      "13) mean ordering parameter shell 2 0.002270\n",
      "14) mean absolute deviation in relative bond length 0.002268\n",
      "15) jml_oq_enp                     0.002236\n",
      "16) jml_mol_vol_divi_therm_cond    0.002185\n",
      "17) jml_vpa                        0.002167\n",
      "18) transition metal fraction      0.002155\n",
      "19) jml_mol_vol_divi_hfus          0.002154\n",
      "20) jml_voro_coord_divi_therm_cond 0.002075\n",
      "21) jml_atom_rad_divi_therm_cond   0.002013\n",
      "22) jml_first_ion_en_divi_mp       0.001998\n",
      "23) n_symmetry_ops                 0.001973\n",
      "24) mean absolute deviation in relative cell size 0.001924\n",
      "25) jml_voro_coord_divi_polzbl     0.001911\n",
      "26) jml_atom_rad_divi_polzbl       0.001908\n",
      "27) jml_first_ion_en_divi_therm_cond 0.001873\n",
      "28) jml_first_ion_en_divi_polzbl   0.001868\n",
      "29) jml_density                    0.001868\n",
      "30) jml_pack_frac                  0.001856\n",
      "31) mean ordering parameter shell 3 0.001846\n",
      "32) jml_first_ion_en_divi_bp       0.001742\n",
      "33) mean ordering parameter shell 1 0.001731\n",
      "34) jml_nn_29                      0.001654\n",
      "35) xrd_56                         0.001620\n",
      "36) jml_mol_vol_divi_bp            0.001618\n",
      "37) jml_C-1                        0.001574\n",
      "38) jml_atom_mass_divi_therm_cond  0.001545\n",
      "39) avg ionic char                 0.001544\n",
      "40) mean neighbor distance variation 0.001525\n",
      "41) rdf [11.10000 - 11.20000]A     0.001514\n",
      "42) jml_polzbl_mult_mp             0.001513\n",
      "43) jml_jv_enp                     0.001513\n",
      "44) jml_C-6                        0.001490\n",
      "45) jml_mol_vol_divi_mp            0.001484\n",
      "46) xrd_32                         0.001469\n",
      "47) min relative bond length       0.001463\n",
      "48) jml_nn_59                      0.001460\n",
      "49) xrd_15                         0.001432\n",
      "50) jml_C-13                       0.001417\n",
      "51) minimum neighbor distance variation 0.001409\n",
      "52) jml_mp_divi_hfus               0.001400\n",
      "53) xrd_14                         0.001390\n",
      "54) xrd_31                         0.001387\n",
      "55) xrd_55                         0.001383\n",
      "56) xrd_36                         0.001382\n",
      "57) jml_C-8                        0.001371\n",
      "58) xrd_16                         0.001367\n",
      "59) jml_atom_mass_divi_hfus        0.001363\n",
      "60) jml_X_subs_elec_aff            0.001352\n",
      "61) rdf [14.40000 - 14.50000]A     0.001347\n",
      "62) jml_voro_coord_divi_bp         0.001346\n",
      "63) jml_rdf_29                     0.001328\n",
      "64) jml_elec_aff_subs_X            0.001327\n",
      "65) xrd_37                         0.001319\n",
      "66) xrd_68                         0.001317\n",
      "67) rdf [17.20000 - 17.30000]A     0.001287\n",
      "68) jml_first_ion_en_divi_atom_rad 0.001283\n",
      "69) max relative bond length       0.001282\n",
      "70) xrd_50                         0.001269\n",
      "71) jml_rdf_28                     0.001262\n",
      "72) rdf [17.70000 - 17.80000]A     0.001259\n",
      "73) max ionic char                 0.001254\n",
      "74) jml_mp_divi_first_ion_en       0.001251\n",
      "75) rdf [10.70000 - 10.80000]A     0.001249\n",
      "76) xrd_33                         0.001245\n",
      "77) jml_voro_coord_divi_mp         0.001243\n",
      "78) rdf [15.90000 - 16.00000]A     0.001240\n",
      "79) xrd_35                         0.001239\n",
      "80) xrd_24                         0.001232\n",
      "81) jml_polzbl_divi_therm_cond     0.001229\n",
      "82) jml_bp_divi_polzbl             0.001226\n",
      "83) xrd_25                         0.001224\n",
      "84) rdf [12.90000 - 13.00000]A     0.001223\n",
      "85) rdf [15.50000 - 15.60000]A     0.001222\n",
      "86) jml_atom_rad_divi_mp           0.001204\n",
      "87) xrd_17                         0.001191\n",
      "88) rdf [19.20000 - 19.30000]A     0.001190\n",
      "89) xrd_67                         0.001182\n",
      "90) rdf [17.80000 - 17.90000]A     0.001180\n",
      "91) jml_bp_mult_atom_mass          0.001178\n",
      "92) xrd_43                         0.001178\n",
      "93) packing fraction               0.001166\n",
      "94) rdf [18.40000 - 18.50000]A     0.001163\n",
      "95) xrd_51                         0.001162\n",
      "96) jml_e2                         0.001157\n",
      "97) jml_atom_rad_divi_bp           0.001155\n",
      "98) rdf [2.80000 - 2.90000]A       0.001151\n",
      "99) jml_mp_mult_atom_rad           0.001146\n",
      "100) xrd_49                         0.001146\n",
      "101) max packing efficiency         0.001145\n",
      "102) xrd_13                         0.001141\n",
      "103) dist from 5 clusters |APE| < 0.010 0.001134\n",
      "104) rdf [15.80000 - 15.90000]A     0.001132\n",
      "105) rdf [17.30000 - 17.40000]A     0.001130\n",
      "106) rdf [13.30000 - 13.40000]A     0.001128\n",
      "107) jml_hfus_mult_polzbl           0.001128\n",
      "108) xrd_44                         0.001126\n",
      "109) jml_C-2                        0.001125\n",
      "110) xrd_69                         0.001124\n",
      "111) jml_elec_aff_mult_mol_vol      0.001120\n",
      "112) jml_atom_mass_divi_polzbl      0.001120\n",
      "113) jml_me2                        0.001117\n",
      "114) rdf [16.30000 - 16.40000]A     0.001117\n",
      "115) xrd_76                         0.001099\n",
      "116) jml_C-12                       0.001097\n",
      "117) jml_e1                         0.001094\n",
      "118) jml_nn_100                     0.001089\n",
      "119) jml_me3                        0.001086\n",
      "120) jml_C-26                       0.001085\n",
      "121) jml_nn_21                      0.001074\n",
      "122) jml_e3                         0.001073\n",
      "123) xrd_34                         0.001069\n",
      "124) rdf [10.50000 - 10.60000]A     0.001067\n",
      "125) jml_rdf_22                     0.001066\n",
      "126) rdf [15.70000 - 15.80000]A     0.001064\n",
      "127) xrd_38                         0.001060\n",
      "128) rdf [19.60000 - 19.70000]A     0.001060\n",
      "129) xrd_57                         0.001058\n",
      "130) rdf [16.00000 - 16.10000]A     0.001057\n",
      "131) rdf [10.40000 - 10.50000]A     0.001054\n",
      "132) jml_nn_30                      0.001052\n",
      "133) jml_nn_51                      0.001051\n",
      "134) jml_me1                        0.001051\n",
      "135) jml_nn_88                      0.001051\n",
      "136) structural complexity per atom 0.001050\n",
      "137) jml_elec_aff_mult_atom_rad     0.001048\n",
      "138) xrd_28                         0.001046\n",
      "139) jml_rdf_21                     0.001044\n",
      "140) jml_bp_mult_mp                 0.001043\n",
      "141) rdf [19.80000 - 19.90000]A     0.001043\n",
      "142) jml_nn_85                      0.001043\n",
      "143) jml_nn_98                      0.001042\n",
      "144) rdf [12.80000 - 12.90000]A     0.001042\n",
      "145) jml_nn_90                      0.001041\n",
      "146) rdf [8.20000 - 8.30000]A       0.001039\n",
      "147) xrd_78                         0.001039\n",
      "148) rdf [19.40000 - 19.50000]A     0.001035\n",
      "149) xrd_66                         0.001033\n",
      "150) xrd_103                        0.001028\n",
      "151) jml_polzbl_mult_elec_aff       0.001025\n",
      "152) jml_C-16                       0.001024\n",
      "153) xrd_26                         0.001023\n",
      "154) jml_hfus_divi_mp               0.001023\n",
      "155) rdf [14.20000 - 14.30000]A     0.001021\n",
      "156) xrd_30                         0.001014\n",
      "157) xrd_75                         0.001014\n",
      "158) rdf [18.80000 - 18.90000]A     0.001012\n",
      "159) xrd_77                         0.001012\n",
      "160) jml_rdf_30                     0.001008\n",
      "161) xrd_79                         0.001007\n",
      "162) jml_mop_eg                     0.001006\n",
      "163) xrd_48                         0.001004\n",
      "164) xrd_60                         0.001004\n",
      "165) rdf [17.40000 - 17.50000]A     0.001003\n",
      "166) band center                    0.001001\n",
      "167) xrd_116                        0.001001\n",
      "168) rdf [4.10000 - 4.20000]A       0.001001\n",
      "169) xrd_20                         0.000997\n",
      "170) xrd_117                        0.000994\n",
      "171) xrd_105                        0.000992\n",
      "172) xrd_104                        0.000988\n",
      "173) rdf [10.80000 - 10.90000]A     0.000988\n",
      "174) xrd_41                         0.000988\n",
      "175) jml_mp_mult_voro_coord         0.000987\n",
      "176) xrd_61                         0.000986\n",
      "177) jml_nn_20                      0.000981\n",
      "178) rdf [18.90000 - 19.00000]A     0.000980\n",
      "179) rdf [11.70000 - 11.80000]A     0.000980\n",
      "180) rdf [7.00000 - 7.10000]A       0.000978\n",
      "181) rdf [16.90000 - 17.00000]A     0.000978\n",
      "182) rdf [15.10000 - 15.20000]A     0.000971\n",
      "183) rdf [15.30000 - 15.40000]A     0.000970\n",
      "184) jml_mp_mult_atom_mass          0.000967\n",
      "185) rdf [13.10000 - 13.20000]A     0.000966\n",
      "186) jml_op_eg                      0.000966\n",
      "187) rdf [6.60000 - 6.70000]A       0.000964\n",
      "188) xrd_80                         0.000964\n",
      "189) xrd_98                         0.000964\n",
      "190) xrd_39                         0.000963\n",
      "191) xrd_97                         0.000960\n",
      "192) rdf [17.10000 - 17.20000]A     0.000959\n",
      "193) xrd_70                         0.000958\n",
      "194) rdf [11.60000 - 11.70000]A     0.000956\n",
      "195) xrd_102                        0.000956\n",
      "196) jml_rdf_59                     0.000956\n",
      "197) xrd_59                         0.000955\n",
      "198) rdf [9.20000 - 9.30000]A       0.000955\n",
      "199) jml_nn_62                      0.000954\n",
      "200) jml_nn_58                      0.000954\n",
      "201) jml_KV                         0.000953\n",
      "202) xrd_81                         0.000951\n",
      "203) jml_hfus_add_X                 0.000950\n",
      "204) rdf [2.70000 - 2.80000]A       0.000949\n",
      "205) jml_log_vpa                    0.000948\n",
      "206) rdf [3.40000 - 3.50000]A       0.000946\n",
      "207) xrd_21                         0.000946\n",
      "208) rdf [18.20000 - 18.30000]A     0.000945\n",
      "209) rdf [19.70000 - 19.80000]A     0.000945\n",
      "210) jml_nn_28                      0.000944\n",
      "211) jml_X_add_voro_coord           0.000942\n",
      "212) jml_hfus_subs_elec_aff         0.000942\n",
      "213) rdf [2.90000 - 3.00000]A       0.000941\n",
      "214) rdf [18.70000 - 18.80000]A     0.000938\n",
      "215) xrd_22                         0.000936\n",
      "216) xrd_54                         0.000932\n",
      "217) jml_elec_aff_subs_hfus         0.000931\n",
      "218) jml_nn_22                      0.000931\n",
      "219) xrd_23                         0.000930\n",
      "220) xrd_65                         0.000929\n",
      "221) rdf [9.30000 - 9.40000]A       0.000929\n",
      "222) rdf [17.90000 - 18.00000]A     0.000929\n",
      "223) xrd_18                         0.000928\n",
      "224) xrd_62                         0.000926\n",
      "225) xrd_63                         0.000926\n",
      "226) xrd_40                         0.000925\n",
      "227) dist from 3 clusters |APE| < 0.010 0.000922\n",
      "228) jml_nn_57                      0.000922\n",
      "229) jml_first_ion_en_divi_atom_mass 0.000921\n",
      "230) rdf [15.40000 - 15.50000]A     0.000921\n",
      "231) xrd_52                         0.000920\n",
      "232) rdf [15.60000 - 15.70000]A     0.000919\n",
      "233) rdf [12.40000 - 12.50000]A     0.000917\n",
      "234) jml_hfus_divi_polzbl           0.000913\n",
      "235) jml_first_ion_en_mult_voro_coord 0.000912\n",
      "236) jml_nn_91                      0.000910\n",
      "237) xrd_64                         0.000910\n",
      "238) xrd_115                        0.000909\n",
      "239) xrd_58                         0.000907\n",
      "240) jml_bp_mult_voro_coord         0.000906\n",
      "241) rdf [13.40000 - 13.50000]A     0.000906\n",
      "242) xrd_110                        0.000906\n",
      "243) xrd_96                         0.000905\n",
      "244) xrd_113                        0.000903\n",
      "245) rdf [14.60000 - 14.70000]A     0.000903\n",
      "246) jml_rdf_20                     0.000900\n",
      "247) xrd_95                         0.000899\n",
      "248) xrd_19                         0.000899\n",
      "249) xrd_74                         0.000897\n",
      "250) xrd_45                         0.000895\n",
      "251) rdf [9.50000 - 9.60000]A       0.000895\n",
      "252) xrd_42                         0.000894\n",
      "253) jml_polzbl_divi_mol_vol        0.000893\n",
      "254) xrd_29                         0.000890\n",
      "255) jml_bp_divi_mp                 0.000889\n",
      "256) rdf [6.90000 - 7.00000]A       0.000889\n",
      "257) jml_mol_vol_divi_atom_rad      0.000888\n",
      "258) rdf [8.30000 - 8.40000]A       0.000886\n",
      "259) jml_bp_mult_atom_rad           0.000886\n",
      "260) jml_C-14                       0.000885\n",
      "261) xrd_46                         0.000881\n",
      "262) rdf [4.70000 - 4.80000]A       0.000881\n",
      "263) jml_nn_92                      0.000881\n",
      "264) jml_nn_82                      0.000880\n",
      "265) jml_mol_vol_subs_polzbl        0.000880\n",
      "266) jml_nn_89                      0.000879\n",
      "267) xrd_89                         0.000879\n",
      "268) xrd_27                         0.000878\n",
      "269) rdf [2.10000 - 2.20000]A       0.000877\n",
      "270) xrd_93                         0.000875\n",
      "271) xrd_121                        0.000875\n",
      "272) xrd_53                         0.000872\n",
      "273) jml_elec_aff                   0.000871\n",
      "274) rdf [17.00000 - 17.10000]A     0.000870\n",
      "275) xrd_112                        0.000868\n",
      "276) jml_voro_coord_subs_atom_rad   0.000867\n",
      "277) jml_nn_73                      0.000866\n",
      "278) rdf [18.60000 - 18.70000]A     0.000865\n",
      "279) jml_atom_rad_subs_voro_coord   0.000863\n",
      "280) jml_polzbl_subs_mol_vol        0.000863\n",
      "281) jml_nn_87                      0.000863\n",
      "282) xrd_99                         0.000862\n",
      "283) xrd_106                        0.000861\n",
      "284) jml_first_ion_en_mult_elec_aff 0.000860\n",
      "285) jml_first_ion_en_mult_X        0.000860\n",
      "286) jml_first_ion_en_divi_voro_coord 0.000859\n",
      "287) jml_rdf_90                     0.000859\n",
      "288) rdf [16.70000 - 16.80000]A     0.000858\n",
      "289) jml_hfus_divi_bp               0.000857\n",
      "290) xrd_109                        0.000857\n",
      "291) jml_mp_divi_polzbl             0.000855\n",
      "292) xrd_47                         0.000854\n",
      "293) rdf [2.00000 - 2.10000]A       0.000854\n",
      "294) rdf [1.90000 - 2.00000]A       0.000854\n",
      "295) jml_bp_divi_first_ion_en       0.000853\n",
      "296) rdf [14.50000 - 14.60000]A     0.000851\n",
      "297) rdf [7.90000 - 8.00000]A       0.000850\n",
      "298) rdf [5.30000 - 5.40000]A       0.000850\n",
      "299) rdf [8.00000 - 8.10000]A       0.000850\n",
      "300) jml_rdf_51                     0.000848\n",
      "301) jml_mean_charge_20             0.000846\n",
      "302) rdf [5.80000 - 5.90000]A       0.000842\n",
      "303) jml_X_mult_voro_coord          0.000841\n",
      "304) jml_nn_78                      0.000839\n",
      "305) rdf [9.10000 - 9.20000]A       0.000836\n",
      "306) xrd_120                        0.000836\n",
      "307) jml_rdf_89                     0.000836\n",
      "308) xrd_82                         0.000835\n",
      "309) xrd_114                        0.000833\n",
      "310) jml_nn_96                      0.000830\n",
      "311) jml_mol_vol_divi_voro_coord    0.000829\n",
      "312) rdf [10.90000 - 11.00000]A     0.000828\n",
      "313) jml_nn_95                      0.000828\n",
      "314) rdf [12.10000 - 12.20000]A     0.000827\n",
      "315) xrd_90                         0.000827\n",
      "316) rdf [13.00000 - 13.10000]A     0.000827\n",
      "317) xrd_92                         0.000825\n",
      "318) xrd_86                         0.000824\n",
      "319) rdf [12.50000 - 12.60000]A     0.000824\n",
      "320) xrd_87                         0.000824\n",
      "321) jml_nn_71                      0.000824\n",
      "322) jml_nn_45                      0.000823\n",
      "323) rdf [13.80000 - 13.90000]A     0.000823\n",
      "324) jml_atom_rad_divi_voro_coord   0.000821\n",
      "325) rdf [13.20000 - 13.30000]A     0.000820\n",
      "326) rdf [17.50000 - 17.60000]A     0.000820\n",
      "327) xrd_88                         0.000820\n",
      "328) rdf [19.30000 - 19.40000]A     0.000819\n",
      "329) jml_elec_aff_add_atom_rad      0.000819\n",
      "330) jml_C-7                        0.000819\n",
      "331) rdf [16.20000 - 16.30000]A     0.000819\n",
      "332) jml_nn_66                      0.000818\n",
      "333) rdf [9.80000 - 9.90000]A       0.000818\n",
      "334) xrd_122                        0.000817\n",
      "335) xrd_85                         0.000816\n",
      "336) rdf [15.20000 - 15.30000]A     0.000816\n",
      "337) jml_elec_aff_mult_voro_coord   0.000815\n",
      "338) jml_nn_33                      0.000813\n",
      "339) jml_hfus_mult_elec_aff         0.000813\n",
      "340) xrd_8                          0.000813\n",
      "341) jml_mp_divi_bp                 0.000811\n",
      "342) jml_rdf_100                    0.000810\n",
      "343) jml_bp_divi_hfus               0.000810\n",
      "344) rdf [3.50000 - 3.60000]A       0.000810\n",
      "345) jml_mol_vol_mult_X             0.000807\n",
      "346) rdf [15.00000 - 15.10000]A     0.000805\n",
      "347) jml_bp_divi_therm_cond         0.000804\n",
      "348) rdf [19.90000 - 20.00000]A     0.000801\n",
      "349) jml_nn_84                      0.000801\n",
      "350) jml_voro_coord_divi_mol_vol    0.000800\n",
      "351) jml_mp_subs_bp                 0.000800\n",
      "352) rdf [8.90000 - 9.00000]A       0.000798\n",
      "353) xrd_73                         0.000798\n",
      "354) xrd_124                        0.000798\n",
      "355) jml_nn_75                      0.000797\n",
      "356) rdf [16.80000 - 16.90000]A     0.000796\n",
      "357) jml_hfus_divi_therm_cond       0.000793\n",
      "358) xrd_94                         0.000793\n",
      "359) rdf [14.00000 - 14.10000]A     0.000793\n",
      "360) jml_elec_aff_mult_bp           0.000792\n",
      "361) jml_nn_63                      0.000791\n",
      "362) rdf [18.30000 - 18.40000]A     0.000790\n",
      "363) jml_hfus_subs_voro_coord       0.000789\n",
      "364) rdf [16.60000 - 16.70000]A     0.000789\n",
      "365) jml_nn_94                      0.000788\n",
      "366) jml_mp_divi_therm_cond         0.000788\n",
      "367) jml_nn_81                      0.000787\n",
      "368) jml_mean_charge_1              0.000787\n",
      "369) rdf [6.00000 - 6.10000]A       0.000786\n",
      "370) rdf [17.60000 - 17.70000]A     0.000786\n",
      "371) jml_atom_mass_divi_bp          0.000784\n",
      "372) rdf [18.00000 - 18.10000]A     0.000784\n",
      "373) rdf [18.10000 - 18.20000]A     0.000784\n",
      "374) xrd_111                        0.000783\n",
      "375) rdf [9.40000 - 9.50000]A       0.000783\n",
      "376) jml_hfus_add_voro_coord        0.000781\n",
      "377) xrd_125                        0.000780\n",
      "378) jml_nn_60                      0.000780\n",
      "379) xrd_91                         0.000779\n",
      "380) rdf [6.30000 - 6.40000]A       0.000779\n",
      "381) gap_AO                         0.000778\n",
      "382) jml_C-35                       0.000778\n",
      "383) xrd_108                        0.000777\n",
      "384) jml_hfus_add_elec_aff          0.000777\n",
      "385) jml_voro_coord_divi_atom_rad   0.000776\n",
      "386) jml_rdf_92                     0.000774\n",
      "387) xrd_107                        0.000773\n",
      "388) jml_first_ion_en_mult_mol_vol  0.000773\n",
      "389) xrd_101                        0.000771\n",
      "390) jml_rdf_57                     0.000770\n",
      "391) rdf [6.50000 - 6.60000]A       0.000769\n",
      "392) xrd_123                        0.000768\n",
      "393) jml_nn_61                      0.000767\n",
      "394) xrd_71                         0.000766\n",
      "395) jml_nn_31                      0.000766\n",
      "396) jml_elec_aff_mult_X            0.000766\n",
      "397) rdf [13.70000 - 13.80000]A     0.000765\n",
      "398) jml_elec_aff_mult_atom_mass    0.000765\n",
      "399) xrd_84                         0.000765\n",
      "400) rdf [13.50000 - 13.60000]A     0.000763\n",
      "401) rdf [10.30000 - 10.40000]A     0.000762\n",
      "402) rdf [13.90000 - 14.00000]A     0.000762\n",
      "403) jml_mean_charge_87             0.000762\n",
      "404) xrd_100                        0.000762\n",
      "405) jml_mean_charge_23             0.000760\n",
      "406) jml_C-21                       0.000760\n",
      "407) jml_avg_ion_rad                0.000759\n",
      "408) jml_rdf_61                     0.000758\n",
      "409) rdf [12.20000 - 12.30000]A     0.000757\n",
      "410) jml_nn_54                      0.000756\n",
      "411) jml_rdf_63                     0.000754\n",
      "412) jml_atom_mass_divi_mol_vol     0.000754\n",
      "413) jml_nn_77                      0.000754\n",
      "414) rdf [12.60000 - 12.70000]A     0.000753\n",
      "415) rdf [6.80000 - 6.90000]A       0.000753\n",
      "416) rdf [10.60000 - 10.70000]A     0.000752\n",
      "417) jml_bp_subs_mp                 0.000752\n",
      "418) rdf [14.10000 - 14.20000]A     0.000751\n",
      "419) jml_rdf_95                     0.000750\n",
      "420) jml_mean_charge_83             0.000750\n",
      "421) rdf [6.70000 - 6.80000]A       0.000750\n",
      "422) rdf [5.70000 - 5.80000]A       0.000750\n",
      "423) jml_mean_charge_19             0.000749\n",
      "424) jml_nn_99                      0.000749\n",
      "425) jml_nn_40                      0.000749\n",
      "426) jml_nn_83                      0.000749\n",
      "427) jml_nn_79                      0.000748\n",
      "428) rdf [11.20000 - 11.30000]A     0.000748\n",
      "429) rdf [11.00000 - 11.10000]A     0.000747\n",
      "430) jml_rdf_58                     0.000747\n",
      "431) jml_atom_rad_add_X             0.000746\n",
      "432) jml_rdf_31                     0.000746\n",
      "433) jml_X                          0.000744\n",
      "434) jml_polzbl_divi_bp             0.000743\n",
      "435) jml_mean_charge_24             0.000743\n",
      "436) xrd_7                          0.000742\n",
      "437) xrd_12                         0.000742\n",
      "438) jml_atom_rad_divi_mol_vol      0.000741\n",
      "439) jml_first_ion_en_add_voro_coord 0.000741\n",
      "440) jml_nn_55                      0.000739\n",
      "441) rdf [8.60000 - 8.70000]A       0.000739\n",
      "442) jml_rdf_43                     0.000738\n",
      "443) xrd_118                        0.000737\n",
      "444) jml_rdf_54                     0.000737\n",
      "445) rdf [14.70000 - 14.80000]A     0.000737\n",
      "446) jml_nn_93                      0.000737\n",
      "447) jml_atom_rad_subs_X            0.000736\n",
      "448) rdf [12.30000 - 12.40000]A     0.000736\n",
      "449) jml_atom_mass_divi_mp          0.000736\n",
      "450) jml_rdf_49                     0.000735\n",
      "451) jml_hfus_divi_voro_coord       0.000734\n",
      "452) xrd_83                         0.000734\n",
      "453) rdf [8.80000 - 8.90000]A       0.000733\n",
      "454) jml_rdf_36                     0.000733\n",
      "455) xrd_127                        0.000733\n",
      "456) jml_rdf_99                     0.000732\n",
      "457) rdf [5.10000 - 5.20000]A       0.000732\n",
      "458) jml_rdf_79                     0.000731\n",
      "459) jml_atom_mass_mult_voro_coord  0.000730\n",
      "460) rdf [16.40000 - 16.50000]A     0.000730\n",
      "461) xrd_119                        0.000728\n",
      "462) jml_nn_32                      0.000727\n",
      "463) rdf [3.10000 - 3.20000]A       0.000726\n",
      "464) jml_mp_subs_therm_cond         0.000725\n",
      "465) xrd_72                         0.000724\n",
      "466) jml_rdf_48                     0.000724\n",
      "467) xrd_126                        0.000723\n",
      "468) jml_mean_charge_21             0.000722\n",
      "469) rdf [18.50000 - 18.60000]A     0.000722\n",
      "470) rdf [16.50000 - 16.60000]A     0.000722\n",
      "471) rdf [5.20000 - 5.30000]A       0.000721\n",
      "472) rdf [7.50000 - 7.60000]A       0.000721\n",
      "473) jml_elec_aff_subs_voro_coord   0.000720\n",
      "474) jml_nn_36                      0.000720\n",
      "475) jml_rdf_37                     0.000719\n",
      "476) rdf [9.90000 - 10.00000]A      0.000719\n",
      "477) rdf [9.70000 - 9.80000]A       0.000719\n",
      "478) jml_rdf_94                     0.000718\n",
      "479) jml_rdf_98                     0.000716\n",
      "480) jml_rdf_73                     0.000715\n",
      "481) LUMO_energy                    0.000715\n",
      "482) jml_rdf_55                     0.000714\n",
      "483) jml_polzbl_divi_mp             0.000713\n",
      "484) jml_rdf_50                     0.000712\n",
      "485) jml_mean_charge_80             0.000712\n",
      "486) jml_mean_charge_76             0.000712\n",
      "487) jml_rdf_44                     0.000711\n",
      "488) jml_nn_43                      0.000711\n",
      "489) rdf [11.40000 - 11.50000]A     0.000710\n",
      "490) jml_mean_charge_25             0.000710\n",
      "491) jml_nn_49                      0.000710\n",
      "492) jml_therm_cond_subs_mp         0.000708\n",
      "493) jml_mean_charge_22             0.000708\n",
      "494) jml_rdf_88                     0.000707\n",
      "495) jml_rdf_45                     0.000707\n",
      "496) rdf [14.30000 - 14.40000]A     0.000706\n",
      "497) jml_C-28                       0.000705\n",
      "498) jml_mol_vol_divi_atom_mass     0.000705\n",
      "499) rdf [13.60000 - 13.70000]A     0.000704\n",
      "500) jml_nn_64                      0.000703\n",
      "501) jml_mean_charge_88             0.000701\n",
      "502) rdf [19.00000 - 19.10000]A     0.000701\n",
      "503) 7-norm                         0.000701\n",
      "504) rdf [19.50000 - 19.60000]A     0.000700\n",
      "505) jml_X_subs_atom_rad            0.000700\n",
      "506) jml_voro_coord_subs_hfus       0.000700\n",
      "507) jml_voro_coord_subs_elec_aff   0.000700\n",
      "508) jml_rdf_78                     0.000699\n",
      "509) rdf [11.80000 - 11.90000]A     0.000699\n",
      "510) rdf [7.60000 - 7.70000]A       0.000699\n",
      "511) rdf [3.00000 - 3.10000]A       0.000698\n",
      "512) jml_rdf_75                     0.000698\n",
      "513) jml_nn_53                      0.000698\n",
      "514) jml_elec_aff_add_voro_coord    0.000698\n",
      "515) jml_nn_68                      0.000698\n",
      "516) jml_mean_charge_86             0.000697\n",
      "517) jml_elec_aff_mult_therm_cond   0.000697\n",
      "518) jml_bp_subs_therm_cond         0.000696\n",
      "519) jml_mean_charge_79             0.000695\n",
      "520) jml_elec_aff_mult_mp           0.000694\n",
      "521) jml_rdf_82                     0.000693\n",
      "522) jml_nn_69                      0.000693\n",
      "523) jml_nn_76                      0.000692\n",
      "524) rdf [16.10000 - 16.20000]A     0.000692\n",
      "525) jml_rdf_71                     0.000692\n",
      "526) rdf [6.20000 - 6.30000]A       0.000691\n",
      "527) jml_therm_cond_divi_bp         0.000690\n",
      "528) jml_rdf_76                     0.000689\n",
      "529) rdf [6.10000 - 6.20000]A       0.000689\n",
      "530) rdf [10.00000 - 10.10000]A     0.000689\n",
      "531) jml_rdf_32                     0.000689\n",
      "532) xrd_9                          0.000689\n",
      "533) jml_nn_37                      0.000688\n",
      "534) rdf [14.90000 - 15.00000]A     0.000688\n",
      "535) rdf [9.60000 - 9.70000]A       0.000685\n",
      "536) jml_first_ion_en_mult_atom_rad 0.000684\n",
      "537) rdf [5.60000 - 5.70000]A       0.000683\n",
      "538) jml_polzbl_mult_bp             0.000682\n",
      "539) rdf [7.20000 - 7.30000]A       0.000682\n",
      "540) jml_atom_rad_mult_X            0.000681\n",
      "541) rdf [8.70000 - 8.80000]A       0.000681\n",
      "542) jml_rdf_85                     0.000680\n",
      "543) jml_rdf_60                     0.000679\n",
      "544) jml_rdf_53                     0.000679\n",
      "545) rdf [19.10000 - 19.20000]A     0.000679\n",
      "546) 10-norm                        0.000679\n",
      "547) jml_mean_charge_89             0.000678\n",
      "548) rdf [14.80000 - 14.90000]A     0.000678\n",
      "549) rdf [8.50000 - 8.60000]A       0.000678\n",
      "550) jml_rdf_91                     0.000676\n",
      "551) jml_mean_charge_85             0.000675\n",
      "552) jml_mean_charge_26             0.000675\n",
      "553) jml_nn_97                      0.000674\n",
      "554) jml_polzbl_mult_therm_cond     0.000674\n",
      "555) jml_mp_divi_mol_vol            0.000674\n",
      "556) jml_therm_cond_divi_mp         0.000674\n",
      "557) jml_rdf_35                     0.000673\n",
      "558) rdf [10.20000 - 10.30000]A     0.000673\n",
      "559) jml_rdf_87                     0.000673\n",
      "560) jml_rdf_93                     0.000672\n",
      "561) rdf [12.70000 - 12.80000]A     0.000671\n",
      "562) jml_rdf_96                     0.000671\n",
      "563) jml_atom_rad_mult_voro_coord   0.000670\n",
      "564) structural complexity per cell 0.000670\n",
      "565) jml_mean_charge_78             0.000670\n",
      "566) jml_nn_86                      0.000670\n",
      "567) jml_C-0                        0.000670\n",
      "568) rdf [4.80000 - 4.90000]A       0.000669\n",
      "569) jml_nn_74                      0.000668\n",
      "570) jml_rdf_77                     0.000668\n",
      "571) jml_rdf_80                     0.000668\n",
      "572) rdf [11.90000 - 12.00000]A     0.000668\n",
      "573) jml_hfus_mult_mp               0.000667\n",
      "574) rdf [8.10000 - 8.20000]A       0.000666\n",
      "575) jml_mean_charge_27             0.000666\n",
      "576) jml_rdf_40                     0.000666\n",
      "577) jml_mean_charge_84             0.000666\n",
      "578) jml_rdf_81                     0.000664\n",
      "579) rdf [7.10000 - 7.20000]A       0.000663\n",
      "580) jml_mean_charge_82             0.000662\n",
      "581) jml_nn_50                      0.000662\n",
      "582) jml_mean_charge_77             0.000660\n",
      "583) jml_polzbl_add_first_ion_en    0.000660\n",
      "584) jml_rdf_97                     0.000658\n",
      "585) jml_therm_cond_divi_polzbl     0.000658\n",
      "586) jml_therm_cond_divi_hfus       0.000657\n",
      "587) rdf [11.50000 - 11.60000]A     0.000656\n",
      "588) jml_mean_charge_92             0.000656\n",
      "589) jml_voro_coord_subs_mol_vol    0.000654\n",
      "590) jml_atom_rad_subs_elec_aff     0.000654\n",
      "591) jml_polzbl_divi_hfus           0.000653\n",
      "592) jml_mol_vol_subs_voro_coord    0.000652\n",
      "593) jml_mean_charge_72             0.000652\n",
      "594) jml_rdf_72                     0.000651\n",
      "595) rdf [7.30000 - 7.40000]A       0.000650\n",
      "596) jml_polzbl_divi_atom_mass      0.000650\n",
      "597) jml_rdf_66                     0.000650\n",
      "598) jml_rdf_62                     0.000649\n",
      "599) rdf [12.00000 - 12.10000]A     0.000649\n",
      "600) 5-norm                         0.000648\n",
      "601) jml_oq_bg                      0.000648\n",
      "602) jml_rdf_84                     0.000648\n",
      "603) jml_nn_41                      0.000647\n",
      "604) rdf [5.50000 - 5.60000]A       0.000647\n",
      "605) jml_rdf_42                     0.000647\n",
      "606) jml_X_subs_voro_coord          0.000645\n",
      "607) jml_mean_charge_90             0.000645\n",
      "608) dist from 1 clusters |APE| < 0.010 0.000644\n",
      "609) rdf [7.80000 - 7.90000]A       0.000643\n",
      "610) jml_mean_charge_93             0.000642\n",
      "611) rdf [3.80000 - 3.90000]A       0.000642\n",
      "612) jml_mean_charge_91             0.000641\n",
      "613) jml_first_ion_en_subs_elec_aff 0.000641\n",
      "614) jml_rdf_69                     0.000640\n",
      "615) jml_X_subs_hfus                0.000640\n",
      "616) jml_voro_coord_subs_X          0.000640\n",
      "617) jml_first_ion_en_add_atom_rad  0.000640\n",
      "618) jml_therm_cond_subs_bp         0.000638\n",
      "619) 3-norm                         0.000637\n",
      "620) jml_nn_72                      0.000636\n",
      "621) jml_rdf_41                     0.000636\n",
      "622) jml_mean_charge_70             0.000636\n",
      "623) jml_mean_charge_81             0.000636\n",
      "624) jml_rdf_47                     0.000635\n",
      "625) rdf [9.00000 - 9.10000]A       0.000634\n",
      "626) jml_atom_rad_add_voro_coord    0.000633\n",
      "627) jml_elec_aff_subs_atom_rad     0.000633\n",
      "628) jml_nn_65                      0.000632\n",
      "629) jml_mol_vol_mult_therm_cond    0.000631\n",
      "630) jml_rdf_83                     0.000630\n",
      "631) jml_nn_47                      0.000630\n",
      "632) jml_hfus_mult_bp               0.000630\n",
      "633) jml_hfus_divi_atom_mass        0.000627\n",
      "634) jml_hfus_mult_atom_mass        0.000627\n",
      "635) jml_rdf_64                     0.000627\n",
      "636) rdf [11.30000 - 11.40000]A     0.000627\n",
      "637) rdf [10.10000 - 10.20000]A     0.000625\n",
      "638) jml_rdf_34                     0.000625\n",
      "639) jml_mp_divi_atom_mass          0.000625\n",
      "640) rdf [5.00000 - 5.10000]A       0.000625\n",
      "641) jml_hfus_mult_first_ion_en     0.000625\n",
      "642) jml_nn_56                      0.000623\n",
      "643) jml_mean_charge_74             0.000623\n",
      "644) jml_rdf_52                     0.000623\n",
      "645) rdf [5.90000 - 6.00000]A       0.000622\n",
      "646) jml_rdf_65                     0.000622\n",
      "647) jml_hfus_mult_voro_coord       0.000622\n",
      "648) jml_rdf_74                     0.000622\n",
      "649) rdf [6.40000 - 6.50000]A       0.000621\n",
      "650) jml_mean_charge_95             0.000621\n",
      "651) jml_rdf_27                     0.000620\n",
      "652) jml_nn_46                      0.000619\n",
      "653) jml_first_ion_en_add_mol_vol   0.000618\n",
      "654) jml_mean_charge_71             0.000618\n",
      "655) jml_rdf_67                     0.000618\n",
      "656) jml_elec_aff_add_X             0.000618\n",
      "657) jml_rdf_68                     0.000618\n",
      "658) xrd_6                          0.000617\n",
      "659) jml_hfus_mult_mol_vol          0.000616\n",
      "660) jml_hfus_divi_atom_rad         0.000616\n",
      "661) jml_rdf_39                     0.000615\n",
      "662) jml_nn_70                      0.000615\n",
      "663) jml_nn_48                      0.000615\n",
      "664) jml_bp_mult_X                  0.000614\n",
      "665) jml_mean_charge_18             0.000613\n",
      "666) jml_rdf_33                     0.000612\n",
      "667) rdf [8.40000 - 8.50000]A       0.000612\n",
      "668) jml_mean_charge_68             0.000611\n",
      "669) jml_mean_charge_73             0.000610\n",
      "670) rdf [5.40000 - 5.50000]A       0.000610\n",
      "671) jml_mean_charge_67             0.000610\n",
      "672) jml_nn_67                      0.000609\n",
      "673) jml_nn_80                      0.000609\n",
      "674) jml_mean_charge_69             0.000608\n",
      "675) jml_mp_divi_voro_coord         0.000608\n",
      "676) rdf [4.20000 - 4.30000]A       0.000607\n",
      "677) rdf [4.60000 - 4.70000]A       0.000607\n",
      "678) jml_nn_34                      0.000607\n",
      "679) jml_therm_cond_divi_voro_coord 0.000606\n",
      "680) jml_bp_add_atom_mass           0.000606\n",
      "681) jml_rdf_70                     0.000606\n",
      "682) rdf [1.80000 - 1.90000]A       0.000605\n",
      "683) jml_polzbl_divi_voro_coord     0.000605\n",
      "684) jml_nn_38                      0.000604\n",
      "685) jml_nn_44                      0.000604\n",
      "686) jml_C-23                       0.000604\n",
      "687) xrd_5                          0.000603\n",
      "688) jml_mean_charge_75             0.000602\n",
      "689) jml_elec_aff_subs_first_ion_en 0.000602\n",
      "690) 2-norm                         0.000602\n",
      "691) rdf [3.20000 - 3.30000]A       0.000601\n",
      "692) rdf [7.40000 - 7.50000]A       0.000600\n",
      "693) jml_hfus_subs_mp               0.000599\n",
      "694) jml_voro_coord_divi_atom_mass  0.000598\n",
      "695) jml_mp_subs_atom_mass          0.000596\n",
      "696) jml_hfus_mult_X                0.000595\n",
      "697) jml_hfus_subs_X                0.000595\n",
      "698) jml_first_ion_en_subs_voro_coord 0.000594\n",
      "699) jml_rdf_46                     0.000594\n",
      "700) jml_elec_aff_add_mol_vol       0.000593\n",
      "701) rdf [3.60000 - 3.70000]A       0.000593\n",
      "702) jml_rdf_56                     0.000593\n",
      "703) jml_voro_coord_subs_first_ion_en 0.000592\n",
      "704) jml_nn_52                      0.000591\n",
      "705) jml_hfus_divi_mol_vol          0.000591\n",
      "706) jml_hfus_mult_therm_cond       0.000590\n",
      "707) rdf [7.70000 - 7.80000]A       0.000590\n",
      "708) rdf [4.00000 - 4.10000]A       0.000589\n",
      "709) jml_first_ion_en_subs_X        0.000589\n",
      "710) jml_first_ion_en_subs_hfus     0.000589\n",
      "711) jml_first_ion_en               0.000588\n",
      "712) jml_C-4                        0.000587\n",
      "713) jml_C-10                       0.000587\n",
      "714) jml_atom_mass_add_therm_cond   0.000587\n",
      "715) jml_mean_charge_94             0.000587\n",
      "716) jml_coulmn                     0.000585\n",
      "717) jml_therm_cond_subs_atom_mass  0.000585\n",
      "718) jml_atom_rad_divi_atom_mass    0.000584\n",
      "719) jml_mean_charge_51             0.000584\n",
      "720) jml_first_ion_en_add_elec_aff  0.000583\n",
      "721) jml_atom_mass_subs_mp          0.000583\n",
      "722) jml_bp_add_mp                  0.000583\n",
      "723) jml_C-24                       0.000581\n",
      "724) jml_voro_coord_divi_first_ion_en 0.000581\n",
      "725) jml_bp_divi_mol_vol            0.000581\n",
      "726) jml_nn_19                      0.000580\n",
      "727) jml_first_ion_en_mult_therm_cond 0.000579\n",
      "728) jml_mol_vol_add_therm_cond     0.000578\n",
      "729) jml_nn_39                      0.000578\n",
      "730) jml_mean_charge_65             0.000577\n",
      "731) jml_adf1_179                   0.000577\n",
      "732) jml_mp_divi_atom_rad           0.000576\n",
      "733) jml_nn_35                      0.000576\n",
      "734) jml_voro_coord_subs_mp         0.000574\n",
      "735) jml_mean_charge_66             0.000574\n",
      "736) jml_elec_aff_subs_bp           0.000573\n",
      "737) jml_mean_charge_53             0.000573\n",
      "738) jml_C-33                       0.000573\n",
      "739) jml_mp_add_atom_mass           0.000573\n",
      "740) jml_first_ion_en_subs_atom_rad 0.000572\n",
      "741) jml_mean_charge_96             0.000572\n",
      "742) jml_therm_cond_divi_first_ion_en 0.000571\n",
      "743) jml_rdf_24                     0.000571\n",
      "744) jml_rdf_19                     0.000571\n",
      "745) rdf [3.90000 - 4.00000]A       0.000571\n",
      "746) jml_is_transition_metal        0.000571\n",
      "747) jml_hfus_add_first_ion_en      0.000570\n",
      "748) jml_first_ion_en_divi_mol_vol  0.000569\n",
      "749) jml_elec_aff_add_mp            0.000569\n",
      "750) jml_mol_vol_mult_mp            0.000568\n",
      "751) jml_mean_charge_60             0.000567\n",
      "752) jml_mp_add_atom_rad            0.000566\n",
      "753) jml_hfus_divi_first_ion_en     0.000564\n",
      "754) jml_mean_charge_98             0.000564\n",
      "755) jml_mean_charge_64             0.000562\n",
      "756) jml_C-25                       0.000562\n",
      "757) jml_bp_subs_first_ion_en       0.000562\n",
      "758) jml_therm_cond_divi_atom_rad   0.000562\n",
      "759) jml_therm_cond_divi_mol_vol    0.000561\n",
      "760) jml_GV                         0.000560\n",
      "761) jml_nn_42                      0.000560\n",
      "762) jml_atom_mass_mult_therm_cond  0.000560\n",
      "763) jml_first_ion_en_add_X         0.000560\n",
      "764) jml_therm_cond_subs_voro_coord 0.000559\n",
      "765) jml_mean_charge_55             0.000558\n",
      "766) jml_therm_cond_mult_X          0.000558\n",
      "767) jml_mean_charge_28             0.000557\n",
      "768) rdf [4.50000 - 4.60000]A       0.000557\n",
      "769) jml_mean_charge_97             0.000557\n",
      "770) jml_nn_24                      0.000556\n",
      "771) jml_mp_mult_X                  0.000556\n",
      "772) jml_atom_mass_subs_bp          0.000556\n",
      "773) rdf [4.90000 - 5.00000]A       0.000555\n",
      "774) jml_hfus                       0.000555\n",
      "775) jml_mol_vol_subs_atom_mass     0.000555\n",
      "776) jml_bp_add_atom_rad            0.000554\n",
      "777) jml_mean_charge_49             0.000554\n",
      "778) jml_mean_charge_52             0.000554\n",
      "779) jml_first_ion_en_mult_mp       0.000554\n",
      "780) jml_mean_charge_99             0.000553\n",
      "781) jml_hfus_mult_atom_rad         0.000552\n",
      "782) jml_atom_mass_subs_therm_cond  0.000552\n",
      "783) jml_mol_vol_add_mp             0.000552\n",
      "784) jml_mean_charge_62             0.000551\n",
      "785) jml_mean_charge_48             0.000551\n",
      "786) jml_rdf_86                     0.000551\n",
      "787) jml_elec_aff_subs_mp           0.000550\n",
      "788) jml_bp_subs_X                  0.000550\n",
      "789) jml_mp_add_X                   0.000550\n",
      "790) jml_mp_mult_therm_cond         0.000549\n",
      "791) jml_mp                         0.000549\n",
      "792) jml_X_subs_mp                  0.000549\n",
      "793) jml_mol_vol_subs_mp            0.000549\n",
      "794) jml_polzbl_add_therm_cond      0.000549\n",
      "795) jml_bp_subs_voro_coord         0.000548\n",
      "796) jml_mp_subs_first_ion_en       0.000548\n",
      "797) jml_bp_add_X                   0.000547\n",
      "798) jml_bp_divi_voro_coord         0.000547\n",
      "799) jml_mp_subs_atom_rad           0.000547\n",
      "800) jml_hfus_subs_first_ion_en     0.000546\n",
      "801) jml_bp_subs_elec_aff           0.000546\n",
      "802) jml_mean_charge_10             0.000545\n",
      "803) jml_polzbl_add_mp              0.000545\n",
      "804) jml_mean_charge_50             0.000545\n",
      "805) jml_min_oxid_s                 0.000542\n",
      "806) jml_mean_charge_59             0.000542\n",
      "807) jml_mean_charge_61             0.000541\n",
      "808) rdf [4.40000 - 4.50000]A       0.000541\n",
      "809) jml_mean_charge_46             0.000541\n",
      "810) jml_mp_subs_mol_vol            0.000540\n",
      "811) jml_atom_mass_subs_mol_vol     0.000539\n",
      "812) jml_mol_vol_subs_therm_cond    0.000539\n",
      "813) jml_X_subs_bp                  0.000537\n",
      "814) jml_polzbl_subs_mp             0.000536\n",
      "815) jml_first_ion_en_add_bp        0.000535\n",
      "816) jml_mp_add_therm_cond          0.000535\n",
      "817) jml_rdf_38                     0.000535\n",
      "818) rdf [2.50000 - 2.60000]A       0.000535\n",
      "819) jml_nn_27                      0.000534\n",
      "820) xrd_10                         0.000534\n",
      "821) jml_elec_aff_add_bp            0.000533\n",
      "822) jml_polzbl_add_bp              0.000533\n",
      "823) jml_mp_subs_hfus               0.000532\n",
      "824) jml_mean_charge_56             0.000532\n",
      "825) jml_atom_rad_subs_bp           0.000531\n",
      "826) jml_mean_charge_63             0.000531\n",
      "827) jml_polzbl_mult_first_ion_en   0.000531\n",
      "828) jml_hfus_add_mp                0.000531\n",
      "829) jml_hfus_add_bp                0.000531\n",
      "830) jml_mean_charge_57             0.000530\n",
      "831) rdf [4.30000 - 4.40000]A       0.000529\n",
      "832) jml_mean_charge_29             0.000529\n",
      "833) jml_mean_charge_54             0.000529\n",
      "834) jml_therm_cond_subs_polzbl     0.000528\n",
      "835) jml_bp_subs_mol_vol            0.000528\n",
      "836) jml_mean_charge_58             0.000528\n",
      "837) jml_atom_rad_mult_therm_cond   0.000527\n",
      "838) jml_nn_26                      0.000527\n",
      "839) jml_voro_coord_subs_therm_cond 0.000527\n",
      "840) jml_atom_rad_subs_first_ion_en 0.000526\n",
      "841) jml_mol_vol_subs_X             0.000526\n",
      "842) jml_bp_subs_atom_rad           0.000526\n",
      "843) jml_bp                         0.000526\n",
      "844) jml_atom_rad_subs_mp           0.000526\n",
      "845) jml_voro_coord_subs_bp         0.000526\n",
      "846) jml_mean_charge_102            0.000525\n",
      "847) rdf [2.60000 - 2.70000]A       0.000525\n",
      "848) rdf [3.30000 - 3.40000]A       0.000525\n",
      "849) jml_mp_subs_X                  0.000524\n",
      "850) jml_max_oxid_s                 0.000524\n",
      "851) HOMO_energy                    0.000524\n",
      "852) jml_elec_aff_subs_therm_cond   0.000523\n",
      "853) jml_bp_add_therm_cond          0.000522\n",
      "854) jml_mp_subs_polzbl             0.000522\n",
      "855) jml_bp_subs_hfus               0.000522\n",
      "856) jml_mol_vol_add_X              0.000521\n",
      "857) jml_mean_charge_11             0.000521\n",
      "858) jml_first_ion_en_subs_mp       0.000520\n",
      "859) jml_bp_subs_polzbl             0.000520\n",
      "860) jml_therm_cond_subs_mol_vol    0.000519\n",
      "861) jml_therm_cond_add_voro_coord  0.000519\n",
      "862) jml_mp_add_voro_coord          0.000519\n",
      "863) jml_mean_charge_9              0.000517\n",
      "864) jml_first_ion_en_mult_bp       0.000516\n",
      "865) jml_first_ion_en_subs_therm_cond 0.000516\n",
      "866) jml_therm_cond_subs_elec_aff   0.000516\n",
      "867) jml_mean_charge_44             0.000516\n",
      "868) jml_bp_mult_therm_cond         0.000516\n",
      "869) jml_mol_vol_subs_bp            0.000516\n",
      "870) jml_hfus_add_therm_cond        0.000515\n",
      "871) xrd_11                         0.000515\n",
      "872) jml_hfus_subs_bp               0.000514\n",
      "873) jml_polzbl_subs_therm_cond     0.000514\n",
      "874) jml_mean_charge_100            0.000513\n",
      "875) jml_first_ion_en_add_mp        0.000513\n",
      "876) jml_atom_rad_subs_mol_vol      0.000513\n",
      "877) jml_bp_subs_atom_mass          0.000513\n",
      "878) jml_polzbl_subs_bp             0.000513\n",
      "879) jml_bp_add_voro_coord          0.000513\n",
      "880) jml_atom_rad_add_therm_cond    0.000511\n",
      "881) jml_mean_charge_8              0.000510\n",
      "882) jml_mean_charge_30             0.000510\n",
      "883) jml_voro_coord                 0.000510\n",
      "884) jml_mol_vol_add_voro_coord     0.000510\n",
      "885) jml_therm_cond_add_X           0.000510\n",
      "886) jml_therm_cond_subs_hfus       0.000509\n",
      "887) jml_atom_mass_mult_X           0.000509\n",
      "888) jml_mp_subs_elec_aff           0.000508\n",
      "889) jml_mean_charge_17             0.000508\n",
      "890) jml_X_subs_first_ion_en        0.000507\n",
      "891) jml_mol_vol_subs_atom_rad      0.000506\n",
      "892) jml_elec_aff_subs_mol_vol      0.000506\n",
      "893) jml_bp_divi_atom_mass          0.000506\n",
      "894) jml_hfus_add_atom_rad          0.000505\n",
      "895) jml_mean_charge_47             0.000505\n",
      "896) jml_mol_vol_add_atom_rad       0.000505\n",
      "897) jml_rdf_26                     0.000505\n",
      "898) jml_first_ion_en_add_therm_cond 0.000504\n",
      "899) jml_polzbl_mult_voro_coord     0.000504\n",
      "900) jml_X_subs_mol_vol             0.000504\n",
      "901) jml_mol_vol_subs_first_ion_en  0.000504\n",
      "902) jml_atom_rad_subs_hfus         0.000504\n",
      "903) jml_hfus_subs_atom_rad         0.000503\n",
      "904) jml_therm_cond_subs_atom_rad   0.000503\n",
      "905) jml_hfus_subs_mol_vol          0.000501\n",
      "906) jml_bp_divi_atom_rad           0.000501\n",
      "907) jml_mol_vol_subs_hfus          0.000500\n",
      "908) jml_atom_rad_subs_therm_cond   0.000499\n",
      "909) jml_mol_vol_add_bp             0.000498\n",
      "910) jml_voro_coord_subs_polzbl     0.000498\n",
      "911) jml_mean_charge_101            0.000497\n",
      "912) jml_elec_aff_add_therm_cond    0.000497\n",
      "913) jml_atom_mass_divi_voro_coord  0.000497\n",
      "914) jml_first_ion_en_subs_bp       0.000496\n",
      "915) jml_mean_charge_103            0.000496\n",
      "916) jml_hfus_subs_therm_cond       0.000495\n",
      "917) jml_hfus_add_mol_vol           0.000495\n",
      "918) rdf [3.70000 - 3.80000]A       0.000494\n",
      "919) jml_mol_vol_divi_first_ion_en  0.000494\n",
      "920) jml_X_subs_therm_cond          0.000492\n",
      "921) jml_polzbl_mult_atom_mass      0.000492\n",
      "922) jml_atom_rad                   0.000492\n",
      "923) jml_mol_vol_mult_atom_rad      0.000491\n",
      "924) jml_polzbl_mult_X              0.000491\n",
      "925) jml_mp_subs_voro_coord         0.000490\n",
      "926) jml_mol_vol_subs_elec_aff      0.000487\n",
      "927) jml_therm_cond_subs_X          0.000486\n",
      "928) jml_first_ion_en_subs_mol_vol  0.000486\n",
      "929) jml_mean_charge_45             0.000486\n",
      "930) jml_therm_cond                 0.000485\n",
      "931) jml_mean_charge_13             0.000485\n",
      "932) jml_polzbl_subs_atom_mass      0.000482\n",
      "933) jml_therm_cond_divi_atom_mass  0.000482\n",
      "934) jml_polzbl_divi_atom_rad       0.000481\n",
      "935) jml_mean_charge_7              0.000479\n",
      "936) jml_mean_charge_43             0.000479\n",
      "937) jml_mean_charge_15             0.000476\n",
      "938) jml_mean_charge_106            0.000475\n",
      "939) jml_mean_charge_16             0.000475\n",
      "940) jml_therm_cond_mult_voro_coord 0.000474\n",
      "941) jml_polzbl_subs_voro_coord     0.000472\n",
      "942) jml_mol_vol                    0.000472\n",
      "943) jml_atom_mass_divi_atom_rad    0.000471\n",
      "944) jml_mol_vol_mult_voro_coord    0.000468\n",
      "945) jml_mean_charge_31             0.000468\n",
      "946) jml_polzbl_add_voro_coord      0.000467\n",
      "947) jml_mean_charge_110            0.000467\n",
      "948) jml_mean_charge_14             0.000466\n",
      "949) jml_mean_charge_107            0.000465\n",
      "950) jml_mean_charge_35             0.000464\n",
      "951) jml_mean_charge_40             0.000464\n",
      "952) jml_atom_mass_mult_atom_rad    0.000463\n",
      "953) jml_mean_charge_12             0.000461\n",
      "954) jml_mean_charge_42             0.000460\n",
      "955) jml_mean_charge_105            0.000460\n",
      "956) jml_first_ion_en_mult_atom_mass 0.000459\n",
      "957) jml_therm_cond_subs_first_ion_en 0.000455\n",
      "958) jml_mean_charge_112            0.000453\n",
      "959) jml_mean_charge_104            0.000453\n",
      "960) jml_mean_charge_108            0.000452\n",
      "961) jml_mean_charge_4              0.000452\n",
      "962) jml_adf1_90                    0.000451\n",
      "963) jml_mean_charge_33             0.000451\n",
      "964) jml_mean_charge_32             0.000446\n",
      "965) jml_atom_mass_subs_polzbl      0.000445\n",
      "966) xrd_4                          0.000445\n",
      "967) jml_mean_charge_41             0.000443\n",
      "968) jml_adf1_35                    0.000443\n",
      "969) rdf [2.40000 - 2.50000]A       0.000441\n",
      "970) jml_mean_charge_2              0.000441\n",
      "971) jml_mean_charge_111            0.000440\n",
      "972) jml_elec_aff_subs_polzbl       0.000438\n",
      "973) jml_mean_charge_115            0.000438\n",
      "974) jml_polzbl_add_mol_vol         0.000435\n",
      "975) jml_polzbl_mult_mol_vol        0.000435\n",
      "976) jml_mean_charge_5              0.000434\n",
      "977) jml_nn_25                      0.000432\n",
      "978) jml_rdf_23                     0.000431\n",
      "979) jml_adf1_119                   0.000427\n",
      "980) jml_adf1_109                   0.000426\n",
      "981) jml_adf1_133                   0.000425\n",
      "982) jml_mean_charge_39             0.000425\n",
      "983) jml_mean_charge_6              0.000423\n",
      "984) jml_adf1_64                    0.000423\n",
      "985) jml_adf1_95                    0.000422\n",
      "986) jml_mean_charge_109            0.000422\n",
      "987) jml_polzbl_mult_atom_rad       0.000418\n",
      "988) jml_mean_charge_36             0.000418\n",
      "989) jml_polzbl_subs_hfus           0.000418\n",
      "990) jml_ddf_161                    0.000418\n",
      "991) jml_polzbl_add_elec_aff        0.000416\n",
      "992) jml_adf1_120                   0.000415\n",
      "993) jml_mean_charge_38             0.000415\n",
      "994) jml_atom_rad_divi_first_ion_en 0.000412\n",
      "995) jml_adf1_104                   0.000412\n",
      "996) jml_polzbl_subs_elec_aff       0.000412\n",
      "997) jml_npvalence                  0.000412\n",
      "998) jml_adf1_48                    0.000411\n",
      "999) jml_mean_charge_116            0.000411\n",
      "1000) jml_atom_mass_divi_first_ion_en 0.000411\n",
      "1001) jml_adf1_46                    0.000411\n",
      "1002) jml_mean_charge_120            0.000411\n",
      "1003) jml_mean_charge_117            0.000410\n",
      "1004) jml_adf1_47                    0.000410\n",
      "1005) jml_adf1_162                   0.000410\n",
      "1006) jml_adf1_127                   0.000409\n",
      "1007) jml_hfus_add_atom_mass         0.000409\n",
      "1008) jml_atom_mass_add_voro_coord   0.000409\n",
      "1009) jml_adf1_49                    0.000409\n",
      "1010) jml_adf1_75                    0.000408\n",
      "1011) jml_block                      0.000408\n",
      "1012) jml_adf1_60                    0.000407\n",
      "1013) jml_voro_coord_subs_atom_mass  0.000406\n",
      "1014) jml_atom_rad_subs_polzbl       0.000404\n",
      "1015) jml_first_ion_en_add_atom_mass 0.000404\n",
      "1016) jml_mean_charge_113            0.000404\n",
      "1017) jml_adf1_84                    0.000403\n",
      "1018) jml_adf1_86                    0.000402\n",
      "1019) jml_mol_vol_mult_bp            0.000401\n",
      "1020) jml_adf1_89                    0.000401\n",
      "1021) jml_elec_aff_subs_atom_mass    0.000401\n",
      "1022) jml_adf1_53                    0.000400\n",
      "1023) jml_adf1_55                    0.000400\n",
      "1024) jml_mean_charge_34             0.000399\n",
      "1025) jml_polzbl_subs_atom_rad       0.000399\n",
      "1026) jml_adf1_96                    0.000398\n",
      "1027) jml_polzbl_divi_first_ion_en   0.000396\n",
      "1028) jml_npunfill                   0.000395\n",
      "1029) jml_mean_charge_114            0.000395\n",
      "1030) jml_adf1_43                    0.000394\n",
      "1031) jml_adf1_72                    0.000394\n",
      "1032) jml_adf1_115                   0.000394\n",
      "1033) jml_adf1_74                    0.000394\n",
      "1034) jml_mean_charge_130            0.000394\n",
      "1035) jml_adf1_38                    0.000393\n",
      "1036) jml_polzbl_add_X               0.000393\n",
      "1037) jml_adf1_31                    0.000393\n",
      "1038) jml_adf1_92                    0.000391\n",
      "1039) jml_adf1_98                    0.000390\n",
      "1040) jml_mean_charge_3              0.000390\n",
      "1041) jml_mean_charge_119            0.000390\n",
      "1042) jml_adf1_132                   0.000390\n",
      "1043) jml_X_subs_atom_mass           0.000390\n",
      "1044) jml_adf1_50                    0.000390\n",
      "1045) jml_adf1_131                   0.000389\n",
      "1046) jml_adf1_103                   0.000389\n",
      "1047) jml_adf1_42                    0.000388\n",
      "1048) jml_adf1_100                   0.000388\n",
      "1049) jml_nn_23                      0.000388\n",
      "1050) jml_adf1_105                   0.000388\n",
      "1051) jml_mean_charge_37             0.000387\n",
      "1052) jml_atom_mass_add_X            0.000386\n",
      "1053) jml_mol_vol_mult_atom_mass     0.000386\n",
      "1054) jml_adf1_34                    0.000386\n",
      "1055) jml_atom_mass_add_atom_rad     0.000386\n",
      "1056) jml_adf1_41                    0.000385\n",
      "1057) jml_mean_charge_121            0.000384\n",
      "1058) jml_adf1_118                   0.000384\n",
      "1059) jml_atom_mass                  0.000384\n",
      "1060) jml_adf1_58                    0.000384\n",
      "1061) jml_polzbl_subs_X              0.000383\n",
      "1062) jml_mean_charge_118            0.000383\n",
      "1063) jml_atom_rad_subs_atom_mass    0.000381\n",
      "1064) jml_mean_charge_128            0.000381\n",
      "1065) jml_adf1_82                    0.000381\n",
      "1066) jml_adf1_111                   0.000380\n",
      "1067) jml_mean_charge_125            0.000379\n",
      "1068) jml_adf1_40                    0.000379\n",
      "1069) jml_adf1_57                    0.000379\n",
      "1070) jml_polzbl_add_atom_mass       0.000379\n",
      "1071) jml_adf1_36                    0.000379\n",
      "1072) jml_atom_mass_subs_hfus        0.000379\n",
      "1073) jml_adf1_91                    0.000378\n",
      "1074) jml_adf1_130                   0.000378\n",
      "1075) jml_adf1_138                   0.000378\n",
      "1076) jml_atom_mass_subs_atom_rad    0.000377\n",
      "1077) rdf [2.30000 - 2.40000]A       0.000376\n",
      "1078) jml_adf1_108                   0.000376\n",
      "1079) jml_elec_aff_add_atom_mass     0.000376\n",
      "1080) jml_X_subs_polzbl              0.000376\n",
      "1081) jml_adf1_106                   0.000375\n",
      "1082) jml_hfus_add_polzbl            0.000375\n",
      "1083) jml_adf1_37                    0.000375\n",
      "1084) jml_adf1_33                    0.000375\n",
      "1085) jml_adf1_52                    0.000374\n",
      "1086) jml_adf1_114                   0.000374\n",
      "1087) jml_atom_mass_subs_X           0.000373\n",
      "1088) jml_adf1_99                    0.000373\n",
      "1089) jml_mean_charge_122            0.000372\n",
      "1090) jml_adf1_117                   0.000372\n",
      "1091) jml_adf1_51                    0.000372\n",
      "1092) jml_adf1_150                   0.000371\n",
      "1093) jml_atom_mass_subs_elec_aff    0.000370\n",
      "1094) jml_adf1_71                    0.000370\n",
      "1095) jml_mean_charge_127            0.000370\n",
      "1096) jml_adf1_54                    0.000370\n",
      "1097) jml_hfus_subs_atom_mass        0.000370\n",
      "1098) jml_adf1_45                    0.000369\n",
      "1099) jml_adf1_93                    0.000368\n",
      "1100) jml_adf1_87                    0.000368\n",
      "1101) jml_adf1_61                    0.000368\n",
      "1102) jml_polzbl_add_atom_rad        0.000368\n",
      "1103) jml_hfus_subs_polzbl           0.000368\n",
      "1104) jml_adf1_125                   0.000367\n",
      "1105) jml_atom_mass_subs_first_ion_en 0.000367\n",
      "1106) jml_adf1_44                    0.000367\n",
      "1107) jml_adf1_83                    0.000366\n",
      "1108) jml_adf1_123                   0.000366\n",
      "1109) jml_adf1_148                   0.000366\n",
      "1110) jml_mean_charge_134            0.000366\n",
      "1111) jml_adf1_59                    0.000365\n",
      "1112) jml_mol_vol_add_atom_mass      0.000365\n",
      "1113) jml_mean_charge_126            0.000364\n",
      "1114) jml_mean_charge_132            0.000364\n",
      "1115) jml_adf1_94                    0.000364\n",
      "1116) jml_adf1_79                    0.000364\n",
      "1117) jml_adf1_128                   0.000363\n",
      "1118) jml_mean_charge_124            0.000363\n",
      "1119) jml_polzbl                     0.000362\n",
      "1120) jml_polzbl_subs_first_ion_en   0.000362\n",
      "1121) jml_adf1_85                    0.000362\n",
      "1122) jml_rdf_25                     0.000362\n",
      "1123) jml_adf1_81                    0.000362\n",
      "1124) jml_first_ion_en_subs_atom_mass 0.000362\n",
      "1125) jml_adf1_30                    0.000361\n",
      "1126) jml_mean_charge_123            0.000360\n",
      "1127) jml_adf1_39                    0.000359\n",
      "1128) jml_mean_charge_129            0.000359\n",
      "1129) jml_adf1_163                   0.000357\n",
      "1130) jml_adf1_62                    0.000357\n",
      "1131) jml_adf1_137                   0.000355\n",
      "1132) jml_adf1_28                    0.000354\n",
      "1133) jml_adf1_126                   0.000354\n",
      "1134) jml_adf1_122                   0.000354\n",
      "1135) jml_adf1_97                    0.000354\n",
      "1136) jml_adf1_17                    0.000353\n",
      "1137) jml_adf1_113                   0.000353\n",
      "1138) rdf [2.20000 - 2.30000]A       0.000352\n",
      "1139) jml_mean_charge_131            0.000352\n",
      "1140) jml_atom_mass_subs_voro_coord  0.000350\n",
      "1141) jml_adf1_178                   0.000350\n",
      "1142) jml_adf1_70                    0.000350\n",
      "1143) jml_first_ion_en_subs_polzbl   0.000349\n",
      "1144) jml_ddf_61                     0.000349\n",
      "1145) jml_adf1_129                   0.000348\n",
      "1146) jml_adf1_107                   0.000348\n",
      "1147) jml_adf1_141                   0.000347\n",
      "1148) jml_mean_charge_140            0.000346\n",
      "1149) jml_adf1_73                    0.000346\n",
      "1150) jml_adf1_65                    0.000345\n",
      "1151) jml_adf1_135                   0.000345\n",
      "1152) jml_adf1_165                   0.000345\n",
      "1153) jml_adf1_68                    0.000344\n",
      "1154) jml_adf1_144                   0.000344\n",
      "1155) jml_adf1_27                    0.000343\n",
      "1156) jml_mean_charge_141            0.000343\n",
      "1157) jml_adf1_15                    0.000343\n",
      "1158) jml_adf1_88                    0.000342\n",
      "1159) jml_ndvalence                  0.000341\n",
      "1160) jml_adf1_134                   0.000341\n",
      "1161) jml_adf1_124                   0.000341\n",
      "1162) jml_ddf_101                    0.000341\n",
      "1163) jml_mean_charge_139            0.000340\n",
      "1164) jml_mean_charge_133            0.000340\n",
      "1165) jml_mean_charge_136            0.000339\n",
      "1166) jml_mean_charge_137            0.000339\n",
      "1167) jml_adf1_152                   0.000339\n",
      "1168) jml_adf1_76                    0.000339\n",
      "1169) jml_adf1_116                   0.000339\n",
      "1170) jml_adf1_20                    0.000339\n",
      "1171) jml_adf1_80                    0.000338\n",
      "1172) jml_adf1_161                   0.000338\n",
      "1173) jml_ddf_179                    0.000337\n",
      "1174) jml_adf1_77                    0.000336\n",
      "1175) jml_adf1_101                   0.000336\n",
      "1176) jml_adf1_146                   0.000336\n",
      "1177) jml_mean_charge_138            0.000336\n",
      "1178) jml_adf1_145                   0.000335\n",
      "1179) jml_adf1_56                    0.000334\n",
      "1180) jml_adf2_108                   0.000334\n",
      "1181) jml_adf1_32                    0.000333\n",
      "1182) jml_adf1_139                   0.000333\n",
      "1183) jml_adf1_25                    0.000333\n",
      "1184) jml_adf1_153                   0.000331\n",
      "1185) jml_mean_charge_149            0.000330\n",
      "1186) jml_adf1_69                    0.000329\n",
      "1187) jml_mean_charge_145            0.000328\n",
      "1188) jml_mean_charge_148            0.000328\n",
      "1189) jml_adf1_172                   0.000326\n",
      "1190) jml_adf1_173                   0.000326\n",
      "1191) jml_mean_charge_143            0.000326\n",
      "1192) jml_adf2_115                   0.000326\n",
      "1193) jml_adf1_102                   0.000326\n",
      "1194) jml_adf1_16                    0.000325\n",
      "1195) jml_adf1_159                   0.000324\n",
      "1196) jml_adf1_147                   0.000324\n",
      "1197) jml_Z                          0.000323\n",
      "1198) jml_adf1_63                    0.000323\n",
      "1199) jml_rdf_18                     0.000323\n",
      "1200) jml_adf1_19                    0.000323\n",
      "1201) jml_adf1_18                    0.000322\n",
      "1202) jml_adf1_21                    0.000321\n",
      "1203) jml_adf1_66                    0.000321\n",
      "1204) jml_adf1_136                   0.000321\n",
      "1205) jml_mean_charge_152            0.000320\n",
      "1206) jml_adf1_29                    0.000320\n",
      "1207) jml_adf1_121                   0.000320\n",
      "1208) jml_adf1_142                   0.000319\n",
      "1209) jml_adf1_22                    0.000319\n",
      "1210) jml_adf1_151                   0.000319\n",
      "1211) jml_adf1_112                   0.000319\n",
      "1212) jml_adf1_140                   0.000318\n",
      "1213) jml_adf1_67                    0.000317\n",
      "1214) jml_ddf_57                     0.000316\n",
      "1215) jml_mean_charge_230            0.000314\n",
      "1216) jml_adf1_176                   0.000313\n",
      "1217) jml_adf1_156                   0.000313\n",
      "1218) jml_adf1_155                   0.000312\n",
      "1219) jml_nn_18                      0.000310\n",
      "1220) jml_adf1_110                   0.000310\n",
      "1221) jml_mean_charge_135            0.000309\n",
      "1222) jml_adf1_23                    0.000308\n",
      "1223) jml_mean_charge_142            0.000308\n",
      "1224) jml_mean_charge_225            0.000307\n",
      "1225) jml_mean_charge_154            0.000307\n",
      "1226) jml_adf1_171                   0.000306\n",
      "1227) jml_adf1_177                   0.000305\n",
      "1228) rdf [1.60000 - 1.70000]A       0.000305\n",
      "1229) jml_adf1_154                   0.000305\n",
      "1230) jml_adf1_175                   0.000305\n",
      "1231) jml_adf1_10                    0.000303\n",
      "1232) jml_adf1_14                    0.000303\n",
      "1233) jml_mean_charge_227            0.000302\n",
      "1234) jml_ddf_56                     0.000301\n",
      "1235) jml_adf2_88                    0.000300\n",
      "1236) jml_adf1_174                   0.000299\n",
      "1237) jml_adf1_158                   0.000299\n",
      "1238) jml_adf1_78                    0.000298\n",
      "1239) jml_adf1_26                    0.000298\n",
      "1240) jml_adf1_164                   0.000298\n",
      "1241) jml_mean_charge_144            0.000297\n",
      "1242) jml_adf1_160                   0.000297\n",
      "1243) rdf [1.70000 - 1.80000]A       0.000296\n",
      "1244) jml_mean_charge_232            0.000296\n",
      "1245) jml_adf1_157                   0.000296\n",
      "1246) jml_mean_charge_151            0.000295\n",
      "1247) jml_mean_charge_155            0.000295\n",
      "1248) jml_mean_charge_150            0.000292\n",
      "1249) jml_adf1_143                   0.000291\n",
      "1250) jml_mean_charge_192            0.000291\n",
      "1251) jml_mean_charge_158            0.000290\n",
      "1252) jml_mean_charge_164            0.000290\n",
      "1253) jml_mean_charge_153            0.000289\n",
      "1254) jml_mean_charge_147            0.000289\n",
      "1255) jml_adf2_105                   0.000289\n",
      "1256) jml_rdf_17                     0.000288\n",
      "1257) jml_mean_charge_226            0.000288\n",
      "1258) jml_adf2_114                   0.000287\n",
      "1259) jml_mean_charge_234            0.000286\n",
      "1260) jml_adf2_101                   0.000286\n",
      "1261) jml_mean_charge_165            0.000286\n",
      "1262) jml_adf1_170                   0.000284\n",
      "1263) jml_adf1_169                   0.000284\n",
      "1264) jml_mean_charge_246            0.000283\n",
      "1265) jml_adf1_149                   0.000283\n",
      "1266) jml_adf1_5                     0.000283\n",
      "1267) jml_adf2_89                    0.000282\n",
      "1268) jml_adf1_168                   0.000282\n",
      "1269) jml_adf2_110                   0.000280\n",
      "1270) jml_mean_charge_162            0.000279\n",
      "1271) jml_ddf_2                      0.000279\n",
      "1272) xrd_3                          0.000278\n",
      "1273) jml_mean_charge_157            0.000278\n",
      "1274) jml_mean_charge_190            0.000277\n",
      "1275) jml_adf2_107                   0.000276\n",
      "1276) jml_ddf_69                     0.000275\n",
      "1277) jml_mean_charge_176            0.000275\n",
      "1278) jml_adf1_24                    0.000275\n",
      "1279) jml_adf1_167                   0.000274\n",
      "1280) jml_mean_charge_161            0.000274\n",
      "1281) jml_mean_charge_250            0.000274\n",
      "1282) jml_mean_charge_172            0.000273\n",
      "1283) jml_adf2_109                   0.000272\n",
      "1284) jml_mean_charge_237            0.000272\n",
      "1285) jml_mean_charge_197            0.000272\n",
      "1286) jml_rdf_16                     0.000272\n",
      "1287) jml_mean_charge_245            0.000271\n",
      "1288) jml_mean_charge_259            0.000271\n",
      "1289) jml_mean_charge_233            0.000271\n",
      "1290) jml_mean_charge_166            0.000271\n",
      "1291) jml_mean_charge_263            0.000271\n",
      "1292) jml_mean_charge_269            0.000271\n",
      "1293) jml_adf1_166                   0.000270\n",
      "1294) jml_adf2_103                   0.000270\n",
      "1295) jml_mean_charge_210            0.000270\n",
      "1296) jml_adf2_104                   0.000269\n",
      "1297) jml_mean_charge_174            0.000269\n",
      "1298) jml_mean_charge_257            0.000269\n",
      "1299) jml_mean_charge_159            0.000268\n",
      "1300) jml_mean_charge_170            0.000268\n",
      "1301) jml_mean_charge_253            0.000268\n",
      "1302) jml_mean_charge_163            0.000267\n",
      "1303) jml_mean_charge_146            0.000267\n",
      "1304) jml_mean_charge_168            0.000266\n",
      "1305) jml_mean_charge_201            0.000266\n",
      "1306) jml_mean_charge_156            0.000266\n",
      "1307) jml_mean_charge_228            0.000266\n",
      "1308) jml_adf2_112                   0.000265\n",
      "1309) jml_ddf_66                     0.000265\n",
      "1310) jml_mean_charge_181            0.000264\n",
      "1311) jml_mean_charge_195            0.000264\n",
      "1312) jml_mean_charge_224            0.000264\n",
      "1313) jml_mean_charge_183            0.000264\n",
      "1314) jml_mean_charge_218            0.000264\n",
      "1315) jml_mean_charge_160            0.000263\n",
      "1316) jml_mean_charge_221            0.000263\n",
      "1317) jml_mean_charge_196            0.000263\n",
      "1318) jml_mean_charge_173            0.000262\n",
      "1319) jml_mean_charge_219            0.000262\n",
      "1320) jml_mean_charge_191            0.000262\n",
      "1321) jml_mean_charge_214            0.000261\n",
      "1322) jml_mean_charge_249            0.000261\n",
      "1323) jml_mean_charge_297            0.000261\n",
      "1324) jml_mean_charge_184            0.000261\n",
      "1325) jml_mean_charge_216            0.000261\n",
      "1326) jml_mean_charge_231            0.000260\n",
      "1327) jml_nn_15                      0.000260\n",
      "1328) jml_mean_charge_244            0.000260\n",
      "1329) jml_mean_charge_220            0.000260\n",
      "1330) jml_adf2_179                   0.000260\n",
      "1331) jml_adf2_116                   0.000259\n",
      "1332) jml_mean_charge_222            0.000259\n",
      "1333) jml_mean_charge_242            0.000258\n",
      "1334) jml_mean_charge_265            0.000258\n",
      "1335) jml_mean_charge_240            0.000258\n",
      "1336) jml_mean_charge_262            0.000258\n",
      "1337) jml_mean_charge_182            0.000258\n",
      "1338) jml_mean_charge_199            0.000258\n",
      "1339) jml_mean_charge_248            0.000257\n",
      "1340) jml_mean_charge_247            0.000257\n",
      "1341) jml_mean_charge_264            0.000256\n",
      "1342) jml_mean_charge_215            0.000256\n",
      "1343) jml_mean_charge_255            0.000256\n",
      "1344) jml_mean_charge_235            0.000256\n",
      "1345) jml_mean_charge_209            0.000255\n",
      "1346) jml_adf2_92                    0.000255\n",
      "1347) jml_mean_charge_203            0.000255\n",
      "1348) jml_mean_charge_213            0.000255\n",
      "1349) jml_mean_charge_178            0.000254\n",
      "1350) jml_mean_charge_223            0.000254\n",
      "1351) jml_mean_charge_278            0.000253\n",
      "1352) jml_mean_charge_206            0.000253\n",
      "1353) jml_mean_charge_254            0.000253\n",
      "1354) jml_mean_charge_251            0.000253\n",
      "1355) jml_mean_charge_243            0.000252\n",
      "1356) jml_mean_charge_204            0.000252\n",
      "1357) jml_mean_charge_175            0.000252\n",
      "1358) jml_mean_charge_268            0.000251\n",
      "1359) jml_adf2_106                   0.000251\n",
      "1360) jml_mean_charge_260            0.000251\n",
      "1361) jml_mean_charge_298            0.000251\n",
      "1362) jml_mean_charge_167            0.000250\n",
      "1363) jml_mean_charge_280            0.000249\n",
      "1364) jml_mean_charge_238            0.000249\n",
      "1365) jml_mean_charge_252            0.000249\n",
      "1366) jml_mean_charge_229            0.000249\n",
      "1367) jml_mean_charge_258            0.000249\n",
      "1368) jml_mean_charge_286            0.000248\n",
      "1369) jml_mean_charge_205            0.000247\n",
      "1370) jml_mean_charge_239            0.000247\n",
      "1371) jml_mean_charge_292            0.000247\n",
      "1372) jml_adf2_113                   0.000247\n",
      "1373) jml_mean_charge_171            0.000247\n",
      "1374) jml_adf2_87                    0.000247\n",
      "1375) jml_adf2_98                    0.000246\n",
      "1376) jml_mean_charge_194            0.000245\n",
      "1377) jml_ddf_108                    0.000245\n",
      "1378) jml_mean_charge_179            0.000245\n",
      "1379) jml_mean_charge_275            0.000245\n",
      "1380) jml_adf1_13                    0.000243\n",
      "1381) jml_mean_charge_217            0.000243\n",
      "1382) jml_adf2_94                    0.000243\n",
      "1383) jml_mean_charge_271            0.000243\n",
      "1384) jml_mean_charge_261            0.000243\n",
      "1385) jml_adf2_90                    0.000243\n",
      "1386) jml_mean_charge_241            0.000242\n",
      "1387) jml_ddf_111                    0.000242\n",
      "1388) jml_mean_charge_236            0.000242\n",
      "1389) jml_mean_charge_198            0.000241\n",
      "1390) jml_mean_charge_276            0.000241\n",
      "1391) jml_mean_charge_290            0.000241\n",
      "1392) jml_mean_charge_270            0.000240\n",
      "1393) jml_mean_charge_266            0.000240\n",
      "1394) jml_mean_charge_193            0.000240\n",
      "1395) jml_ddf_102                    0.000240\n",
      "1396) jml_mean_charge_284            0.000240\n",
      "1397) jml_mean_charge_301            0.000240\n",
      "1398) jml_mean_charge_287            0.000240\n",
      "1399) jml_mean_charge_282            0.000240\n",
      "1400) jml_mean_charge_272            0.000239\n",
      "1401) jml_adf1_9                     0.000239\n",
      "1402) jml_adf2_95                    0.000239\n",
      "1403) jml_mean_charge_189            0.000239\n",
      "1404) jml_mean_charge_186            0.000238\n",
      "1405) jml_adf2_96                    0.000238\n",
      "1406) jml_mean_charge_279            0.000238\n",
      "1407) jml_ddf_113                    0.000238\n",
      "1408) jml_mean_charge_200            0.000237\n",
      "1409) jml_ddf_14                     0.000237\n",
      "1410) jml_mean_charge_267            0.000237\n",
      "1411) jml_adf1_12                    0.000237\n",
      "1412) jml_mean_charge_185            0.000236\n",
      "1413) jml_mean_charge_281            0.000236\n",
      "1414) jml_mean_charge_273            0.000236\n",
      "1415) jml_mean_charge_277            0.000236\n",
      "1416) jml_mean_charge_283            0.000234\n",
      "1417) jml_mean_charge_177            0.000234\n",
      "1418) jml_mean_charge_285            0.000233\n",
      "1419) jml_mean_charge_293            0.000233\n",
      "1420) jml_mean_charge_288            0.000233\n",
      "1421) jml_adf1_11                    0.000232\n",
      "1422) jml_adf2_170                   0.000230\n",
      "1423) jml_mean_charge_208            0.000230\n",
      "1424) jml_mean_charge_256            0.000229\n",
      "1425) jml_mean_charge_296            0.000228\n",
      "1426) jml_mean_charge_169            0.000227\n",
      "1427) jml_mean_charge_289            0.000227\n",
      "1428) jml_mean_charge_299            0.000226\n",
      "1429) jml_ddf_105                    0.000226\n",
      "1430) jml_adf2_117                   0.000226\n",
      "1431) jml_mean_charge_300            0.000226\n",
      "1432) jml_adf2_99                    0.000225\n",
      "1433) jml_ddf_28                     0.000225\n",
      "1434) jml_nn_16                      0.000225\n",
      "1435) jml_mean_charge_202            0.000225\n",
      "1436) jml_ddf_37                     0.000224\n",
      "1437) jml_adf2_77                    0.000224\n",
      "1438) jml_mean_charge_274            0.000224\n",
      "1439) jml_mean_charge_180            0.000223\n",
      "1440) jml_adf1_7                     0.000222\n",
      "1441) jml_row                        0.000222\n",
      "1442) jml_mean_charge_212            0.000222\n",
      "1443) jml_adf2_129                   0.000222\n",
      "1444) jml_mean_charge_211            0.000222\n",
      "1445) jml_mean_charge_187            0.000221\n",
      "1446) jml_adf2_85                    0.000221\n",
      "1447) jml_adf2_43                    0.000221\n",
      "1448) jml_ddf_58                     0.000221\n",
      "1449) jml_ddf_64                     0.000221\n",
      "1450) jml_ddf_106                    0.000221\n",
      "1451) jml_mean_charge_302            0.000220\n",
      "1452) rdf [0.90000 - 1.00000]A       0.000219\n",
      "1453) jml_adf1_8                     0.000219\n",
      "1454) jml_nsvalence                  0.000219\n",
      "1455) jml_mean_charge_188            0.000219\n",
      "1456) jml_mean_charge_306            0.000219\n",
      "1457) jml_adf2_91                    0.000218\n",
      "1458) jml_ddf_12                     0.000217\n",
      "1459) jml_mean_charge_307            0.000217\n",
      "1460) jml_adf2_118                   0.000216\n",
      "1461) jml_mean_charge_304            0.000216\n",
      "1462) jml_mean_charge_207            0.000216\n",
      "1463) jml_mean_charge_294            0.000216\n",
      "1464) jml_ddf_130                    0.000216\n",
      "1465) jml_ddf_19                     0.000215\n",
      "1466) jml_adf1_6                     0.000215\n",
      "1467) jml_mean_charge_303            0.000215\n",
      "1468) jml_ddf_1                      0.000214\n",
      "1469) jml_nn_10                      0.000214\n",
      "1470) jml_adf2_93                    0.000213\n",
      "1471) jml_mean_charge_291            0.000213\n",
      "1472) jml_adf2_122                   0.000213\n",
      "1473) jml_adf1_1                     0.000212\n",
      "1474) jml_adf2_165                   0.000212\n",
      "1475) jml_adf2_119                   0.000211\n",
      "1476) jml_nsunfill                   0.000211\n",
      "1477) jml_mean_charge_295            0.000211\n",
      "1478) jml_ddf_81                     0.000210\n",
      "1479) jml_adf2_97                    0.000210\n",
      "1480) jml_adf2_100                   0.000210\n",
      "1481) jml_adf2_146                   0.000210\n",
      "1482) rdf [1.50000 - 1.60000]A       0.000209\n",
      "1483) jml_adf2_52                    0.000209\n",
      "1484) jml_adf2_81                    0.000209\n",
      "1485) jml_adf2_111                   0.000209\n",
      "1486) jml_adf2_102                   0.000208\n",
      "1487) jml_adf2_168                   0.000208\n",
      "1488) jml_adf2_61                    0.000208\n",
      "1489) jml_adf1_4                     0.000206\n",
      "1490) jml_adf2_79                    0.000205\n",
      "1491) jml_mean_charge_325            0.000204\n",
      "1492) jml_mean_charge_314            0.000204\n",
      "1493) jml_adf2_60                    0.000204\n",
      "1494) jml_mean_charge_309            0.000203\n",
      "1495) jml_ddf_99                     0.000203\n",
      "1496) jml_ddf_73                     0.000203\n",
      "1497) jml_ddf_68                     0.000202\n",
      "1498) jml_ddf_163                    0.000201\n",
      "1499) jml_ddf_109                    0.000201\n",
      "1500) jml_ddf_142                    0.000200\n",
      "1501) jml_adf2_84                    0.000200\n",
      "1502) jml_adf2_120                   0.000199\n",
      "1503) jml_adf2_59                    0.000199\n",
      "1504) jml_adf1_2                     0.000198\n",
      "1505) jml_adf2_124                   0.000197\n",
      "1506) jml_ddf_83                     0.000197\n",
      "1507) jml_ddf_117                    0.000197\n",
      "1508) jml_mean_charge_311            0.000197\n",
      "1509) jml_adf2_169                   0.000196\n",
      "1510) jml_mean_charge_305            0.000196\n",
      "1511) jml_adf2_172                   0.000196\n",
      "1512) jml_ddf_103                    0.000196\n",
      "1513) jml_adf2_50                    0.000196\n",
      "1514) jml_adf2_78                    0.000195\n",
      "1515) jml_adf2_75                    0.000195\n",
      "1516) jml_ddf_127                    0.000195\n",
      "1517) jml_ddf_110                    0.000194\n",
      "1518) jml_adf2_30                    0.000194\n",
      "1519) jml_mean_charge_316            0.000194\n",
      "1520) jml_mean_charge_318            0.000194\n",
      "1521) jml_nn_17                      0.000194\n",
      "1522) jml_ddf_67                     0.000193\n",
      "1523) jml_adf2_83                    0.000193\n",
      "1524) jml_ddf_78                     0.000193\n",
      "1525) jml_ddf_154                    0.000192\n",
      "1526) jml_ddf_150                    0.000192\n",
      "1527) jml_adf2_127                   0.000192\n",
      "1528) jml_mean_charge_319            0.000192\n",
      "1529) jml_ddf_16                     0.000191\n",
      "1530) jml_ddf_128                    0.000191\n",
      "1531) xrd_2                          0.000191\n",
      "1532) jml_ddf_164                    0.000191\n",
      "1533) jml_adf2_174                   0.000191\n",
      "1534) jml_mean_charge_315            0.000191\n",
      "1535) jml_adf2_65                    0.000190\n",
      "1536) jml_mean_charge_323            0.000190\n",
      "1537) jml_mean_charge_313            0.000190\n",
      "1538) jml_mean_charge_320            0.000190\n",
      "1539) jml_adf2_62                    0.000190\n",
      "1540) jml_ddf_85                     0.000190\n",
      "1541) jml_mean_charge_308            0.000190\n",
      "1542) jml_ddf_40                     0.000189\n",
      "1543) jml_adf2_69                    0.000189\n",
      "1544) jml_adf2_86                    0.000187\n",
      "1545) jml_adf2_121                   0.000187\n",
      "1546) jml_nfvalence                  0.000187\n",
      "1547) jml_ddf_115                    0.000187\n",
      "1548) jml_mean_charge_310            0.000187\n",
      "1549) jml_adf2_71                    0.000187\n",
      "1550) jml_adf2_173                   0.000186\n",
      "1551) jml_ddf_96                     0.000186\n",
      "1552) jml_adf2_63                    0.000186\n",
      "1553) jml_adf2_148                   0.000186\n",
      "1554) jml_adf2_47                    0.000185\n",
      "1555) jml_adf2_147                   0.000185\n",
      "1556) jml_adf2_53                    0.000184\n",
      "1557) jml_mean_charge_312            0.000183\n",
      "1558) jml_adf2_171                   0.000183\n",
      "1559) jml_ddf_34                     0.000183\n",
      "1560) jml_ddf_75                     0.000182\n",
      "1561) jml_ddf_65                     0.000181\n",
      "1562) jml_ddf_100                    0.000180\n",
      "1563) jml_adf2_149                   0.000180\n",
      "1564) jml_ddf_72                     0.000180\n",
      "1565) jml_ddf_54                     0.000179\n",
      "1566) jml_ddf_15                     0.000179\n",
      "1567) jml_rdf_13                     0.000178\n",
      "1568) jml_adf2_164                   0.000178\n",
      "1569) jml_mean_charge_317            0.000178\n",
      "1570) jml_adf2_72                    0.000178\n",
      "1571) jml_ddf_39                     0.000177\n",
      "1572) jml_adf2_49                    0.000177\n",
      "1573) jml_adf2_128                   0.000177\n",
      "1574) jml_adf2_131                   0.000176\n",
      "1575) jml_adf2_64                    0.000175\n",
      "1576) jml_adf2_166                   0.000174\n",
      "1577) 0-norm                         0.000174\n",
      "1578) jml_adf2_137                   0.000174\n",
      "1579) jml_mean_charge_328            0.000173\n",
      "1580) jml_ddf_23                     0.000173\n",
      "1581) jml_adf2_145                   0.000173\n",
      "1582) jml_adf2_132                   0.000173\n",
      "1583) jml_rdf_10                     0.000172\n",
      "1584) jml_ddf_95                     0.000172\n",
      "1585) jml_adf2_73                    0.000172\n",
      "1586) jml_mean_charge_327            0.000172\n",
      "1587) jml_adf2_80                    0.000172\n",
      "1588) jml_ddf_55                     0.000171\n",
      "1589) jml_is_metalloid               0.000171\n",
      "1590) jml_ddf_46                     0.000170\n",
      "1591) jml_adf2_66                    0.000170\n",
      "1592) jml_ddf_98                     0.000170\n",
      "1593) jml_adf2_167                   0.000170\n",
      "1594) jml_adf2_133                   0.000170\n",
      "1595) jml_ddf_84                     0.000169\n",
      "1596) jml_adf2_46                    0.000169\n",
      "1597) jml_ddf_170                    0.000169\n",
      "1598) jml_adf2_37                    0.000168\n",
      "1599) jml_ddf_134                    0.000168\n",
      "1600) jml_adf2_125                   0.000168\n",
      "1601) jml_ddf_24                     0.000168\n",
      "1602) jml_adf2_175                   0.000167\n",
      "1603) jml_ddf_162                    0.000167\n",
      "1604) jml_ddf_138                    0.000167\n",
      "1605) jml_ddf_71                     0.000167\n",
      "1606) jml_adf2_68                    0.000166\n",
      "1607) jml_adf2_56                    0.000166\n",
      "1608) jml_adf2_82                    0.000166\n",
      "1609) jml_adf2_143                   0.000166\n",
      "1610) jml_ddf_93                     0.000166\n",
      "1611) jml_mean_charge_338            0.000165\n",
      "1612) jml_ddf_62                     0.000164\n",
      "1613) jml_adf2_157                   0.000164\n",
      "1614) jml_mean_charge_321            0.000164\n",
      "1615) jml_adf2_48                    0.000164\n",
      "1616) jml_adf2_126                   0.000163\n",
      "1617) jml_mean_charge_335            0.000163\n",
      "1618) jml_adf2_45                    0.000163\n",
      "1619) jml_ddf_88                     0.000163\n",
      "1620) jml_adf2_130                   0.000162\n",
      "1621) jml_mean_charge_322            0.000162\n",
      "1622) jml_ddf_104                    0.000162\n",
      "1623) jml_mean_charge_329            0.000162\n",
      "1624) jml_ddf_177                    0.000162\n",
      "1625) jml_ddf_86                     0.000161\n",
      "1626) jml_ddf_125                    0.000161\n",
      "1627) jml_adf2_38                    0.000161\n",
      "1628) jml_adf2_177                   0.000160\n",
      "1629) jml_ddf_49                     0.000160\n",
      "1630) jml_ddf_90                     0.000160\n",
      "1631) jml_ddf_80                     0.000160\n",
      "1632) jml_ddf_123                    0.000160\n",
      "1633) jml_ddf_143                    0.000160\n",
      "1634) jml_adf2_156                   0.000160\n",
      "1635) jml_mean_charge_324            0.000160\n",
      "1636) jml_ddf_27                     0.000160\n",
      "1637) jml_ddf_166                    0.000159\n",
      "1638) jml_adf2_55                    0.000159\n",
      "1639) jml_adf2_44                    0.000159\n",
      "1640) jml_mean_charge_330            0.000158\n",
      "1641) jml_adf1_3                     0.000158\n",
      "1642) jml_mean_charge_343            0.000157\n",
      "1643) jml_ddf_168                    0.000157\n",
      "1644) jml_adf2_35                    0.000157\n",
      "1645) jml_adf2_54                    0.000156\n",
      "1646) jml_ddf_159                    0.000156\n",
      "1647) jml_adf2_31                    0.000156\n",
      "1648) jml_adf2_144                   0.000155\n",
      "1649) jml_mean_charge_334            0.000155\n",
      "1650) jml_adf2_136                   0.000154\n",
      "1651) jml_adf2_123                   0.000154\n",
      "1652) jml_adf2_32                    0.000154\n",
      "1653) jml_rdf_12                     0.000154\n",
      "1654) jml_ddf_41                     0.000154\n",
      "1655) jml_mean_charge_326            0.000153\n",
      "1656) jml_adf2_150                   0.000153\n",
      "1657) jml_adf2_7                     0.000152\n",
      "1658) jml_adf2_57                    0.000152\n",
      "1659) jml_adf2_140                   0.000152\n",
      "1660) jml_adf2_178                   0.000151\n",
      "1661) jml_adf2_135                   0.000151\n",
      "1662) jml_ddf_36                     0.000151\n",
      "1663) jml_mean_charge_331            0.000151\n",
      "1664) jml_mean_charge_337            0.000151\n",
      "1665) jml_adf2_162                   0.000150\n",
      "1666) jml_adf2_70                    0.000150\n",
      "1667) jml_adf2_76                    0.000150\n",
      "1668) jml_ddf_155                    0.000150\n",
      "1669) jml_ddf_8                      0.000149\n",
      "1670) jml_adf2_33                    0.000149\n",
      "1671) jml_adf2_154                   0.000149\n",
      "1672) jml_adf2_34                    0.000148\n",
      "1673) jml_ddf_13                     0.000148\n",
      "1674) jml_ddf_124                    0.000148\n",
      "1675) jml_adf2_138                   0.000147\n",
      "1676) jml_adf2_12                    0.000147\n",
      "1677) jml_adf2_36                    0.000147\n",
      "1678) jml_ddf_43                     0.000147\n",
      "1679) jml_ddf_141                    0.000147\n",
      "1680) jml_adf2_139                   0.000146\n",
      "1681) jml_ddf_82                     0.000146\n",
      "1682) jml_adf2_28                    0.000146\n",
      "1683) jml_ddf_172                    0.000145\n",
      "1684) jml_adf2_74                    0.000145\n",
      "1685) jml_adf2_163                   0.000145\n",
      "1686) jml_adf2_161                   0.000145\n",
      "1687) jml_ddf_118                    0.000145\n",
      "1688) jml_nn_13                      0.000145\n",
      "1689) jml_ddf_26                     0.000144\n",
      "1690) jml_ddf_77                     0.000143\n",
      "1691) jml_ddf_33                     0.000143\n",
      "1692) jml_adf2_142                   0.000143\n",
      "1693) jml_ddf_59                     0.000141\n",
      "1694) jml_adf2_141                   0.000141\n",
      "1695) jml_adf2_160                   0.000140\n",
      "1696) jml_nfunfill                   0.000140\n",
      "1697) xrd_1                          0.000140\n",
      "1698) jml_adf2_41                    0.000139\n",
      "1699) jml_adf2_134                   0.000139\n",
      "1700) jml_adf2_151                   0.000139\n",
      "1701) jml_mean_charge_339            0.000138\n",
      "1702) jml_adf2_40                    0.000138\n",
      "1703) jml_adf2_51                    0.000138\n",
      "1704) jml_ddf_157                    0.000138\n",
      "1705) jml_mean_charge_341            0.000138\n",
      "1706) jml_mean_charge_344            0.000138\n",
      "1707) jml_ddf_60                     0.000138\n",
      "1708) jml_adf2_176                   0.000137\n",
      "1709) jml_ddf_79                     0.000137\n",
      "1710) jml_mean_charge_336            0.000136\n",
      "1711) jml_mean_charge_333            0.000136\n",
      "1712) jml_ddf_4                      0.000136\n",
      "1713) jml_ddf_94                     0.000136\n",
      "1714) jml_mean_charge_347            0.000135\n",
      "1715) jml_adf2_21                    0.000135\n",
      "1716) jml_adf2_26                    0.000135\n",
      "1717) jml_ddf_122                    0.000134\n",
      "1718) jml_ddf_76                     0.000134\n",
      "1719) jml_ddf_3                      0.000134\n",
      "1720) jml_adf2_29                    0.000134\n",
      "1721) jml_adf2_25                    0.000133\n",
      "1722) jml_adf2_39                    0.000133\n",
      "1723) jml_mean_charge_345            0.000133\n",
      "1724) jml_ddf_129                    0.000133\n",
      "1725) jml_ddf_30                     0.000132\n",
      "1726) jml_ddf_126                    0.000132\n",
      "1727) jml_ddf_135                    0.000132\n",
      "1728) jml_adf2_23                    0.000131\n",
      "1729) jml_ddf_140                    0.000131\n",
      "1730) jml_ddf_31                     0.000131\n",
      "1731) jml_ddf_107                    0.000131\n",
      "1732) jml_ddf_112                    0.000131\n",
      "1733) jml_ddf_70                     0.000131\n",
      "1734) jml_adf2_155                   0.000130\n",
      "1735) jml_ddf_21                     0.000130\n",
      "1736) rdf [1.20000 - 1.30000]A       0.000130\n",
      "1737) jml_ddf_120                    0.000130\n",
      "1738) jml_adf2_8                     0.000130\n",
      "1739) jml_mean_charge_332            0.000129\n",
      "1740) jml_adf2_22                    0.000129\n",
      "1741) jml_adf2_58                    0.000129\n",
      "1742) jml_ddf_116                    0.000129\n",
      "1743) jml_ddf_45                     0.000129\n",
      "1744) jml_ddf_176                    0.000128\n",
      "1745) jml_ddf_74                     0.000128\n",
      "1746) jml_adf2_158                   0.000128\n",
      "1747) jml_ddf_32                     0.000128\n",
      "1748) jml_ddf_53                     0.000128\n",
      "1749) jml_mean_charge_340            0.000127\n",
      "1750) jml_ddf_17                     0.000127\n",
      "1751) jml_adf2_67                    0.000126\n",
      "1752) jml_ddf_173                    0.000126\n",
      "1753) jml_adf2_152                   0.000126\n",
      "1754) jml_ddf_18                     0.000126\n",
      "1755) jml_mean_charge_342            0.000126\n",
      "1756) jml_ddf_51                     0.000124\n",
      "1757) jml_ddf_114                    0.000124\n",
      "1758) jml_ddf_144                    0.000124\n",
      "1759) jml_mean_charge_352            0.000124\n",
      "1760) jml_mean_charge_358            0.000123\n",
      "1761) jml_mean_charge_354            0.000123\n",
      "1762) jml_ddf_52                     0.000123\n",
      "1763) jml_ddf_139                    0.000122\n",
      "1764) jml_ddf_22                     0.000122\n",
      "1765) jml_ddf_5                      0.000122\n",
      "1766) jml_mean_charge_350            0.000122\n",
      "1767) jml_ddf_89                     0.000122\n",
      "1768) jml_ddf_121                    0.000121\n",
      "1769) jml_ddf_178                    0.000121\n",
      "1770) jml_mean_charge_353            0.000120\n",
      "1771) jml_mean_charge_348            0.000120\n",
      "1772) jml_ddf_63                     0.000120\n",
      "1773) jml_ddf_160                    0.000119\n",
      "1774) jml_mean_charge_355            0.000119\n",
      "1775) jml_ddf_38                     0.000118\n",
      "1776) jml_ddf_11                     0.000118\n",
      "1777) jml_ddf_132                    0.000117\n",
      "1778) jml_ddf_9                      0.000117\n",
      "1779) jml_nn_14                      0.000117\n",
      "1780) jml_adf2_42                    0.000116\n",
      "1781) jml_mean_charge_360            0.000116\n",
      "1782) jml_mean_charge_351            0.000116\n",
      "1783) jml_mean_charge_349            0.000114\n",
      "1784) jml_ddf_151                    0.000114\n",
      "1785) jml_ddf_148                    0.000113\n",
      "1786) jml_ddf_97                     0.000113\n",
      "1787) jml_adf2_17                    0.000113\n",
      "1788) jml_ddf_42                     0.000112\n",
      "1789) jml_ddf_119                    0.000112\n",
      "1790) jml_ddf_174                    0.000112\n",
      "1791) jml_ddf_87                     0.000112\n",
      "1792) jml_mean_charge_365            0.000111\n",
      "1793) jml_mean_charge_356            0.000111\n",
      "1794) jml_ddf_152                    0.000110\n",
      "1795) jml_mean_charge_364            0.000110\n",
      "1796) jml_ddf_47                     0.000110\n",
      "1797) jml_ddf_149                    0.000110\n",
      "1798) rdf [1.40000 - 1.50000]A       0.000109\n",
      "1799) jml_ddf_145                    0.000109\n",
      "1800) jml_ddf_48                     0.000109\n",
      "1801) jml_mean_charge_346            0.000109\n",
      "1802) jml_ddf_137                    0.000109\n",
      "1803) jml_rdf_14                     0.000109\n",
      "1804) jml_ddf_6                      0.000108\n",
      "1805) jml_ddf_10                     0.000107\n",
      "1806) jml_ddf_158                    0.000107\n",
      "1807) jml_nn_12                      0.000105\n",
      "1808) jml_adf2_159                   0.000105\n",
      "1809) jml_ddf_167                    0.000105\n",
      "1810) jml_mean_charge_357            0.000104\n",
      "1811) jml_ddf_169                    0.000104\n",
      "1812) jml_adf2_153                   0.000104\n",
      "1813) jml_mean_charge_368            0.000103\n",
      "1814) jml_ddf_20                     0.000103\n",
      "1815) jml_ddf_29                     0.000103\n",
      "1816) jml_ddf_175                    0.000103\n",
      "1817) jml_ddf_136                    0.000103\n",
      "1818) jml_mean_charge_369            0.000102\n",
      "1819) jml_rdf_15                     0.000102\n",
      "1820) jml_ddf_131                    0.000101\n",
      "1821) jml_ddf_25                     0.000101\n",
      "1822) jml_mean_charge_373            0.000101\n",
      "1823) rdf [1.30000 - 1.40000]A       0.000100\n",
      "1824) jml_mean_charge_363            0.000100\n",
      "1825) jml_mean_charge_361            0.000100\n",
      "1826) jml_mean_charge_376            0.000100\n",
      "1827) jml_ddf_50                     0.000100\n",
      "1828) jml_mean_charge_359            0.000100\n",
      "1829) jml_adf2_18                    0.000100\n",
      "1830) jml_is_alkali                  0.000099\n",
      "1831) jml_mean_charge_370            0.000099\n",
      "1832) jml_ddf_153                    0.000099\n",
      "1833) jml_adf2_14                    0.000099\n",
      "1834) jml_mean_charge_367            0.000098\n",
      "1835) jml_ddf_35                     0.000098\n",
      "1836) jml_ddf_133                    0.000097\n",
      "1837) jml_is_alkaline                0.000097\n",
      "1838) jml_ddf_171                    0.000097\n",
      "1839) jml_adf2_11                    0.000095\n",
      "1840) jml_adf2_6                     0.000094\n",
      "1841) jml_mean_charge_366            0.000094\n",
      "1842) jml_ddf_44                     0.000093\n",
      "1843) jml_ddf_91                     0.000093\n",
      "1844) jml_adf2_19                    0.000093\n",
      "1845) jml_mean_charge_375            0.000092\n",
      "1846) jml_adf2_15                    0.000092\n",
      "1847) jml_mean_charge_377            0.000092\n",
      "1848) jml_adf2_27                    0.000092\n",
      "1849) jml_is_lanthanoid              0.000092\n",
      "1850) jml_mean_charge_372            0.000091\n",
      "1851) jml_ddf_92                     0.000091\n",
      "1852) jml_ddf_156                    0.000090\n",
      "1853) jml_adf2_24                    0.000090\n",
      "1854) jml_ddf_165                    0.000089\n",
      "1855) jml_is_halogen                 0.000088\n",
      "1856) jml_mean_charge_362            0.000088\n",
      "1857) jml_adf2_20                    0.000088\n",
      "1858) jml_mean_charge_371            0.000087\n",
      "1859) jml_adf2_5                     0.000087\n",
      "1860) jml_adf2_10                    0.000084\n",
      "1861) jml_mean_charge_374            0.000084\n",
      "1862) jml_mean_charge_378            0.000084\n",
      "1863) jml_adf2_9                     0.000084\n",
      "1864) jml_ddf_7                      0.000081\n",
      "1865) jml_adf2_2                     0.000081\n",
      "1866) jml_adf2_4                     0.000081\n",
      "1867) jml_adf2_16                    0.000080\n",
      "1868) jml_adf2_13                    0.000076\n",
      "1869) jml_rdf_9                      0.000073\n",
      "1870) dimensionality                 0.000071\n",
      "1871) jml_nn_9                       0.000063\n",
      "1872) jml_ddf_146                    0.000062\n",
      "1873) jml_ddf_147                    0.000062\n",
      "1874) jml_rdf_11                     0.000058\n",
      "1875) jml_nn_5                       0.000058\n",
      "1876) jml_rdf_5                      0.000056\n",
      "1877) rdf [1.10000 - 1.20000]A       0.000052\n",
      "1878) jml_adf2_3                     0.000052\n",
      "1879) jml_adf2_1                     0.000048\n",
      "1880) rdf [1.00000 - 1.10000]A       0.000045\n",
      "1881) jml_nn_11                      0.000044\n",
      "1882) jml_rdf_7                      0.000041\n",
      "1883) jml_nn_7                       0.000036\n",
      "1884) xrd_0                          0.000034\n",
      "1885) jml_rdf_8                      0.000025\n",
      "1886) jml_rdf_6                      0.000022\n",
      "1887) jml_rdf_3                      0.000020\n",
      "1888) jml_nn_8                       0.000018\n",
      "1889) jml_nn_6                       0.000017\n",
      "1890) jml_nn_3                       0.000017\n",
      "1891) jml_nn_4                       0.000007\n",
      "1892) jml_rdf_4                      0.000007\n",
      "1893) jml_rdf_2                      0.000006\n",
      "1894) jml_nn_2                       0.000006\n",
      "1895) jml_rdf_1                      0.000003\n",
      "1896) jml_nn_1                       0.000003\n",
      "1897) jml_C-20                       0.000000\n",
      "1898) rdf [0.40000 - 0.50000]A       0.000000\n",
      "1899) rdf [0.30000 - 0.40000]A       0.000000\n",
      "1900) rdf [0.50000 - 0.60000]A       0.000000\n",
      "1901) jml_C-11                       0.000000\n",
      "1902) jml_is_noble_gas               0.000000\n",
      "1903) jml_C-29                       0.000000\n",
      "1904) jml_C-27                       0.000000\n",
      "1905) rdf [0.20000 - 0.30000]A       0.000000\n",
      "1906) rdf [0.70000 - 0.80000]A       0.000000\n",
      "1907) rdf [0.10000 - 0.20000]A       0.000000\n",
      "1908) rdf [0.00000 - 0.10000]A       0.000000\n",
      "1909) rdf [0.60000 - 0.70000]A       0.000000\n",
      "1910) jml_C-31                       0.000000\n",
      "1911) jml_is_actinoid                0.000000\n",
      "1912) rdf [0.80000 - 0.90000]A       0.000000\n",
      "1913) jml_C-17                       0.000000\n",
      "1914) jml_C-15                       0.000000\n",
      "1915) jml_C-9                        0.000000\n",
      "1916) jml_C-18                       0.000000\n",
      "1917) jml_C-30                       0.000000\n",
      "1918) jml_C-32                       0.000000\n",
      "1919) jml_C-5                        0.000000\n",
      "1920) jml_C-3                        0.000000\n",
      "1921) jml_C-34                       0.000000\n",
      "1922) jml_C-19                       0.000000\n",
      "1923) jml_C-22                       0.000000\n"
     ]
    }
   ],
   "source": [
    "for f in range(X.shape[1]):\n",
    "    print(\"%2d) %-*s %f\" % (f + 1, 30, feat_labels[indices[f]], importances[indices[f]]))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "13cd34ba",
   "metadata": {},
   "outputs": [],
   "source": [
    "for f in range(X.shape[1]):\n",
    "    print(\"%2d) %-*s %f\" % (f + 1, 30, feat_labels[indices[f]], importances[indices[f]]))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 83,
   "id": "5448b7e8",
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['vpa',\n",
       " 'spacegroup_num',\n",
       " 'avg_dev neighbor distance variation',\n",
       " 'density',\n",
       " 'jml_ndunfill',\n",
       " 'crystal_system_int',\n",
       " 'jml_mol_vol_divi_polzbl',\n",
       " 'maximum neighbor distance variation',\n",
       " 'jml_first_ion_en_divi_hfus',\n",
       " 'jml_atom_rad_divi_hfus',\n",
       " 'jml_voro_coord_divi_hfus',\n",
       " 'range neighbor distance variation',\n",
       " 'mean ordering parameter shell 2',\n",
       " 'mean absolute deviation in relative bond length',\n",
       " 'jml_oq_enp',\n",
       " 'jml_mol_vol_divi_therm_cond',\n",
       " 'jml_vpa',\n",
       " 'transition metal fraction',\n",
       " 'jml_mol_vol_divi_hfus',\n",
       " 'jml_voro_coord_divi_therm_cond',\n",
       " 'jml_atom_rad_divi_therm_cond',\n",
       " 'jml_first_ion_en_divi_mp',\n",
       " 'n_symmetry_ops',\n",
       " 'mean absolute deviation in relative cell size',\n",
       " 'jml_voro_coord_divi_polzbl',\n",
       " 'jml_atom_rad_divi_polzbl',\n",
       " 'jml_first_ion_en_divi_therm_cond',\n",
       " 'jml_first_ion_en_divi_polzbl',\n",
       " 'jml_density',\n",
       " 'jml_pack_frac',\n",
       " 'mean ordering parameter shell 3',\n",
       " 'jml_first_ion_en_divi_bp',\n",
       " 'mean ordering parameter shell 1',\n",
       " 'jml_nn_29',\n",
       " 'xrd_56',\n",
       " 'jml_mol_vol_divi_bp',\n",
       " 'jml_C-1',\n",
       " 'jml_atom_mass_divi_therm_cond',\n",
       " 'avg ionic char',\n",
       " 'mean neighbor distance variation',\n",
       " 'rdf [11.10000 - 11.20000]A',\n",
       " 'jml_polzbl_mult_mp',\n",
       " 'jml_jv_enp',\n",
       " 'jml_C-6',\n",
       " 'jml_mol_vol_divi_mp',\n",
       " 'xrd_32',\n",
       " 'min relative bond length',\n",
       " 'jml_nn_59',\n",
       " 'xrd_15',\n",
       " 'jml_C-13',\n",
       " 'minimum neighbor distance variation',\n",
       " 'jml_mp_divi_hfus',\n",
       " 'xrd_14',\n",
       " 'xrd_31',\n",
       " 'xrd_55',\n",
       " 'xrd_36',\n",
       " 'jml_C-8',\n",
       " 'xrd_16',\n",
       " 'jml_atom_mass_divi_hfus',\n",
       " 'jml_X_subs_elec_aff',\n",
       " 'rdf [14.40000 - 14.50000]A',\n",
       " 'jml_voro_coord_divi_bp',\n",
       " 'jml_rdf_29',\n",
       " 'jml_elec_aff_subs_X',\n",
       " 'xrd_37',\n",
       " 'xrd_68',\n",
       " 'rdf [17.20000 - 17.30000]A',\n",
       " 'jml_first_ion_en_divi_atom_rad',\n",
       " 'max relative bond length',\n",
       " 'xrd_50',\n",
       " 'jml_rdf_28',\n",
       " 'rdf [17.70000 - 17.80000]A',\n",
       " 'max ionic char',\n",
       " 'jml_mp_divi_first_ion_en',\n",
       " 'rdf [10.70000 - 10.80000]A',\n",
       " 'xrd_33',\n",
       " 'jml_voro_coord_divi_mp',\n",
       " 'rdf [15.90000 - 16.00000]A',\n",
       " 'xrd_35',\n",
       " 'xrd_24',\n",
       " 'jml_polzbl_divi_therm_cond',\n",
       " 'jml_bp_divi_polzbl',\n",
       " 'xrd_25',\n",
       " 'rdf [12.90000 - 13.00000]A',\n",
       " 'rdf [15.50000 - 15.60000]A',\n",
       " 'jml_atom_rad_divi_mp',\n",
       " 'xrd_17',\n",
       " 'rdf [19.20000 - 19.30000]A',\n",
       " 'xrd_67',\n",
       " 'rdf [17.80000 - 17.90000]A',\n",
       " 'jml_bp_mult_atom_mass',\n",
       " 'xrd_43',\n",
       " 'packing fraction',\n",
       " 'rdf [18.40000 - 18.50000]A',\n",
       " 'xrd_51',\n",
       " 'jml_e2',\n",
       " 'jml_atom_rad_divi_bp',\n",
       " 'rdf [2.80000 - 2.90000]A',\n",
       " 'jml_mp_mult_atom_rad',\n",
       " 'xrd_49',\n",
       " 'max packing efficiency',\n",
       " 'xrd_13',\n",
       " 'dist from 5 clusters |APE| < 0.010',\n",
       " 'rdf [15.80000 - 15.90000]A',\n",
       " 'rdf [17.30000 - 17.40000]A',\n",
       " 'rdf [13.30000 - 13.40000]A',\n",
       " 'jml_hfus_mult_polzbl',\n",
       " 'xrd_44',\n",
       " 'jml_C-2',\n",
       " 'xrd_69',\n",
       " 'jml_elec_aff_mult_mol_vol',\n",
       " 'jml_atom_mass_divi_polzbl',\n",
       " 'jml_me2',\n",
       " 'rdf [16.30000 - 16.40000]A',\n",
       " 'xrd_76',\n",
       " 'jml_C-12',\n",
       " 'jml_e1',\n",
       " 'jml_nn_100',\n",
       " 'jml_me3',\n",
       " 'jml_C-26',\n",
       " 'jml_nn_21',\n",
       " 'jml_e3',\n",
       " 'xrd_34',\n",
       " 'rdf [10.50000 - 10.60000]A',\n",
       " 'jml_rdf_22',\n",
       " 'rdf [15.70000 - 15.80000]A',\n",
       " 'xrd_38',\n",
       " 'rdf [19.60000 - 19.70000]A',\n",
       " 'xrd_57',\n",
       " 'rdf [16.00000 - 16.10000]A',\n",
       " 'rdf [10.40000 - 10.50000]A',\n",
       " 'jml_nn_30',\n",
       " 'jml_nn_51',\n",
       " 'jml_me1',\n",
       " 'jml_nn_88',\n",
       " 'structural complexity per atom',\n",
       " 'jml_elec_aff_mult_atom_rad',\n",
       " 'xrd_28',\n",
       " 'jml_rdf_21',\n",
       " 'jml_bp_mult_mp',\n",
       " 'rdf [19.80000 - 19.90000]A',\n",
       " 'jml_nn_85',\n",
       " 'jml_nn_98',\n",
       " 'rdf [12.80000 - 12.90000]A',\n",
       " 'jml_nn_90',\n",
       " 'rdf [8.20000 - 8.30000]A',\n",
       " 'xrd_78',\n",
       " 'rdf [19.40000 - 19.50000]A',\n",
       " 'xrd_66',\n",
       " 'xrd_103',\n",
       " 'jml_polzbl_mult_elec_aff',\n",
       " 'jml_C-16',\n",
       " 'xrd_26',\n",
       " 'jml_hfus_divi_mp',\n",
       " 'rdf [14.20000 - 14.30000]A',\n",
       " 'xrd_30',\n",
       " 'xrd_75',\n",
       " 'rdf [18.80000 - 18.90000]A',\n",
       " 'xrd_77',\n",
       " 'jml_rdf_30',\n",
       " 'xrd_79',\n",
       " 'jml_mop_eg',\n",
       " 'xrd_48',\n",
       " 'xrd_60',\n",
       " 'rdf [17.40000 - 17.50000]A',\n",
       " 'band center',\n",
       " 'xrd_116',\n",
       " 'rdf [4.10000 - 4.20000]A',\n",
       " 'xrd_20',\n",
       " 'xrd_117',\n",
       " 'xrd_105',\n",
       " 'xrd_104',\n",
       " 'rdf [10.80000 - 10.90000]A',\n",
       " 'xrd_41',\n",
       " 'jml_mp_mult_voro_coord',\n",
       " 'xrd_61',\n",
       " 'jml_nn_20',\n",
       " 'rdf [18.90000 - 19.00000]A',\n",
       " 'rdf [11.70000 - 11.80000]A',\n",
       " 'rdf [7.00000 - 7.10000]A',\n",
       " 'rdf [16.90000 - 17.00000]A',\n",
       " 'rdf [15.10000 - 15.20000]A',\n",
       " 'rdf [15.30000 - 15.40000]A',\n",
       " 'jml_mp_mult_atom_mass',\n",
       " 'rdf [13.10000 - 13.20000]A',\n",
       " 'jml_op_eg',\n",
       " 'rdf [6.60000 - 6.70000]A',\n",
       " 'xrd_80',\n",
       " 'xrd_98',\n",
       " 'xrd_39',\n",
       " 'xrd_97',\n",
       " 'rdf [17.10000 - 17.20000]A',\n",
       " 'xrd_70',\n",
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       " 'jml_nn_48',\n",
       " 'jml_bp_mult_X',\n",
       " 'jml_mean_charge_18',\n",
       " 'jml_rdf_33',\n",
       " 'rdf [8.40000 - 8.50000]A',\n",
       " 'jml_mean_charge_68',\n",
       " 'jml_mean_charge_73',\n",
       " 'rdf [5.40000 - 5.50000]A',\n",
       " 'jml_mean_charge_67',\n",
       " 'jml_nn_67',\n",
       " 'jml_nn_80',\n",
       " 'jml_mean_charge_69',\n",
       " 'jml_mp_divi_voro_coord',\n",
       " 'rdf [4.20000 - 4.30000]A',\n",
       " 'rdf [4.60000 - 4.70000]A',\n",
       " 'jml_nn_34',\n",
       " 'jml_therm_cond_divi_voro_coord',\n",
       " 'jml_bp_add_atom_mass',\n",
       " 'jml_rdf_70',\n",
       " 'rdf [1.80000 - 1.90000]A',\n",
       " 'jml_polzbl_divi_voro_coord',\n",
       " 'jml_nn_38',\n",
       " 'jml_nn_44',\n",
       " 'jml_C-23',\n",
       " 'xrd_5',\n",
       " 'jml_mean_charge_75',\n",
       " 'jml_elec_aff_subs_first_ion_en',\n",
       " '2-norm',\n",
       " 'rdf [3.20000 - 3.30000]A',\n",
       " 'rdf [7.40000 - 7.50000]A',\n",
       " 'jml_hfus_subs_mp',\n",
       " 'jml_voro_coord_divi_atom_mass',\n",
       " 'jml_mp_subs_atom_mass',\n",
       " 'jml_hfus_mult_X',\n",
       " 'jml_hfus_subs_X',\n",
       " 'jml_first_ion_en_subs_voro_coord',\n",
       " 'jml_rdf_46',\n",
       " 'jml_elec_aff_add_mol_vol',\n",
       " 'rdf [3.60000 - 3.70000]A',\n",
       " 'jml_rdf_56',\n",
       " 'jml_voro_coord_subs_first_ion_en',\n",
       " 'jml_nn_52',\n",
       " 'jml_hfus_divi_mol_vol',\n",
       " 'jml_hfus_mult_therm_cond',\n",
       " 'rdf [7.70000 - 7.80000]A',\n",
       " 'rdf [4.00000 - 4.10000]A',\n",
       " 'jml_first_ion_en_subs_X',\n",
       " 'jml_first_ion_en_subs_hfus',\n",
       " 'jml_first_ion_en',\n",
       " 'jml_C-4',\n",
       " 'jml_C-10',\n",
       " 'jml_atom_mass_add_therm_cond',\n",
       " 'jml_mean_charge_94',\n",
       " 'jml_coulmn',\n",
       " 'jml_therm_cond_subs_atom_mass',\n",
       " 'jml_atom_rad_divi_atom_mass',\n",
       " 'jml_mean_charge_51',\n",
       " 'jml_first_ion_en_add_elec_aff',\n",
       " 'jml_atom_mass_subs_mp',\n",
       " 'jml_bp_add_mp',\n",
       " 'jml_C-24',\n",
       " 'jml_voro_coord_divi_first_ion_en',\n",
       " 'jml_bp_divi_mol_vol',\n",
       " 'jml_nn_19',\n",
       " 'jml_first_ion_en_mult_therm_cond',\n",
       " 'jml_mol_vol_add_therm_cond',\n",
       " 'jml_nn_39',\n",
       " 'jml_mean_charge_65',\n",
       " 'jml_adf1_179',\n",
       " 'jml_mp_divi_atom_rad',\n",
       " 'jml_nn_35',\n",
       " 'jml_voro_coord_subs_mp',\n",
       " 'jml_mean_charge_66',\n",
       " 'jml_elec_aff_subs_bp',\n",
       " 'jml_mean_charge_53',\n",
       " 'jml_C-33',\n",
       " 'jml_mp_add_atom_mass',\n",
       " 'jml_first_ion_en_subs_atom_rad',\n",
       " 'jml_mean_charge_96',\n",
       " 'jml_therm_cond_divi_first_ion_en',\n",
       " 'jml_rdf_24',\n",
       " 'jml_rdf_19',\n",
       " 'rdf [3.90000 - 4.00000]A',\n",
       " 'jml_is_transition_metal',\n",
       " 'jml_hfus_add_first_ion_en',\n",
       " 'jml_first_ion_en_divi_mol_vol',\n",
       " 'jml_elec_aff_add_mp',\n",
       " 'jml_mol_vol_mult_mp',\n",
       " 'jml_mean_charge_60',\n",
       " 'jml_mp_add_atom_rad',\n",
       " 'jml_hfus_divi_first_ion_en',\n",
       " 'jml_mean_charge_98',\n",
       " 'jml_mean_charge_64',\n",
       " 'jml_C-25',\n",
       " 'jml_bp_subs_first_ion_en',\n",
       " 'jml_therm_cond_divi_atom_rad',\n",
       " 'jml_therm_cond_divi_mol_vol',\n",
       " 'jml_GV',\n",
       " 'jml_nn_42',\n",
       " 'jml_atom_mass_mult_therm_cond',\n",
       " 'jml_first_ion_en_add_X',\n",
       " 'jml_therm_cond_subs_voro_coord',\n",
       " 'jml_mean_charge_55',\n",
       " 'jml_therm_cond_mult_X',\n",
       " 'jml_mean_charge_28',\n",
       " 'rdf [4.50000 - 4.60000]A',\n",
       " 'jml_mean_charge_97',\n",
       " 'jml_nn_24',\n",
       " 'jml_mp_mult_X',\n",
       " 'jml_atom_mass_subs_bp',\n",
       " 'rdf [4.90000 - 5.00000]A',\n",
       " 'jml_hfus',\n",
       " 'jml_mol_vol_subs_atom_mass',\n",
       " 'jml_bp_add_atom_rad',\n",
       " 'jml_mean_charge_49',\n",
       " 'jml_mean_charge_52',\n",
       " 'jml_first_ion_en_mult_mp',\n",
       " 'jml_mean_charge_99',\n",
       " 'jml_hfus_mult_atom_rad',\n",
       " 'jml_atom_mass_subs_therm_cond',\n",
       " 'jml_mol_vol_add_mp',\n",
       " 'jml_mean_charge_62',\n",
       " 'jml_mean_charge_48',\n",
       " 'jml_rdf_86',\n",
       " 'jml_elec_aff_subs_mp',\n",
       " 'jml_bp_subs_X',\n",
       " 'jml_mp_add_X',\n",
       " 'jml_mp_mult_therm_cond',\n",
       " 'jml_mp',\n",
       " 'jml_X_subs_mp',\n",
       " 'jml_mol_vol_subs_mp',\n",
       " 'jml_polzbl_add_therm_cond',\n",
       " 'jml_bp_subs_voro_coord',\n",
       " 'jml_mp_subs_first_ion_en',\n",
       " 'jml_bp_add_X',\n",
       " 'jml_bp_divi_voro_coord',\n",
       " 'jml_mp_subs_atom_rad',\n",
       " 'jml_hfus_subs_first_ion_en',\n",
       " 'jml_bp_subs_elec_aff',\n",
       " 'jml_mean_charge_10',\n",
       " 'jml_polzbl_add_mp',\n",
       " 'jml_mean_charge_50',\n",
       " 'jml_min_oxid_s',\n",
       " 'jml_mean_charge_59',\n",
       " 'jml_mean_charge_61',\n",
       " 'rdf [4.40000 - 4.50000]A',\n",
       " 'jml_mean_charge_46',\n",
       " 'jml_mp_subs_mol_vol',\n",
       " 'jml_atom_mass_subs_mol_vol',\n",
       " 'jml_mol_vol_subs_therm_cond',\n",
       " 'jml_X_subs_bp',\n",
       " 'jml_polzbl_subs_mp',\n",
       " 'jml_first_ion_en_add_bp',\n",
       " 'jml_mp_add_therm_cond',\n",
       " 'jml_rdf_38',\n",
       " 'rdf [2.50000 - 2.60000]A',\n",
       " 'jml_nn_27',\n",
       " 'xrd_10',\n",
       " 'jml_elec_aff_add_bp',\n",
       " 'jml_polzbl_add_bp',\n",
       " 'jml_mp_subs_hfus',\n",
       " 'jml_mean_charge_56',\n",
       " 'jml_atom_rad_subs_bp',\n",
       " 'jml_mean_charge_63',\n",
       " 'jml_polzbl_mult_first_ion_en',\n",
       " 'jml_hfus_add_mp',\n",
       " 'jml_hfus_add_bp',\n",
       " 'jml_mean_charge_57',\n",
       " 'rdf [4.30000 - 4.40000]A',\n",
       " 'jml_mean_charge_29',\n",
       " 'jml_mean_charge_54',\n",
       " 'jml_therm_cond_subs_polzbl',\n",
       " 'jml_bp_subs_mol_vol',\n",
       " 'jml_mean_charge_58',\n",
       " 'jml_atom_rad_mult_therm_cond',\n",
       " 'jml_nn_26',\n",
       " 'jml_voro_coord_subs_therm_cond',\n",
       " 'jml_atom_rad_subs_first_ion_en',\n",
       " 'jml_mol_vol_subs_X',\n",
       " 'jml_bp_subs_atom_rad',\n",
       " 'jml_bp',\n",
       " 'jml_atom_rad_subs_mp',\n",
       " 'jml_voro_coord_subs_bp',\n",
       " 'jml_mean_charge_102',\n",
       " 'rdf [2.60000 - 2.70000]A',\n",
       " 'rdf [3.30000 - 3.40000]A',\n",
       " 'jml_mp_subs_X',\n",
       " 'jml_max_oxid_s',\n",
       " 'HOMO_energy',\n",
       " 'jml_elec_aff_subs_therm_cond',\n",
       " 'jml_bp_add_therm_cond',\n",
       " 'jml_mp_subs_polzbl',\n",
       " 'jml_bp_subs_hfus',\n",
       " 'jml_mol_vol_add_X',\n",
       " 'jml_mean_charge_11',\n",
       " 'jml_first_ion_en_subs_mp',\n",
       " 'jml_bp_subs_polzbl',\n",
       " 'jml_therm_cond_subs_mol_vol',\n",
       " 'jml_therm_cond_add_voro_coord',\n",
       " 'jml_mp_add_voro_coord',\n",
       " 'jml_mean_charge_9',\n",
       " 'jml_first_ion_en_mult_bp',\n",
       " 'jml_first_ion_en_subs_therm_cond',\n",
       " 'jml_therm_cond_subs_elec_aff',\n",
       " 'jml_mean_charge_44',\n",
       " 'jml_bp_mult_therm_cond',\n",
       " 'jml_mol_vol_subs_bp',\n",
       " 'jml_hfus_add_therm_cond',\n",
       " 'xrd_11',\n",
       " 'jml_hfus_subs_bp',\n",
       " 'jml_polzbl_subs_therm_cond',\n",
       " 'jml_mean_charge_100',\n",
       " 'jml_first_ion_en_add_mp',\n",
       " 'jml_atom_rad_subs_mol_vol',\n",
       " 'jml_bp_subs_atom_mass',\n",
       " 'jml_polzbl_subs_bp',\n",
       " 'jml_bp_add_voro_coord',\n",
       " 'jml_atom_rad_add_therm_cond',\n",
       " 'jml_mean_charge_8',\n",
       " 'jml_mean_charge_30',\n",
       " 'jml_voro_coord',\n",
       " 'jml_mol_vol_add_voro_coord',\n",
       " 'jml_therm_cond_add_X',\n",
       " 'jml_therm_cond_subs_hfus',\n",
       " 'jml_atom_mass_mult_X',\n",
       " 'jml_mp_subs_elec_aff',\n",
       " 'jml_mean_charge_17',\n",
       " 'jml_X_subs_first_ion_en',\n",
       " 'jml_mol_vol_subs_atom_rad',\n",
       " 'jml_elec_aff_subs_mol_vol',\n",
       " 'jml_bp_divi_atom_mass',\n",
       " 'jml_hfus_add_atom_rad',\n",
       " 'jml_mean_charge_47',\n",
       " 'jml_mol_vol_add_atom_rad',\n",
       " 'jml_rdf_26',\n",
       " 'jml_first_ion_en_add_therm_cond',\n",
       " 'jml_polzbl_mult_voro_coord',\n",
       " 'jml_X_subs_mol_vol',\n",
       " 'jml_mol_vol_subs_first_ion_en',\n",
       " 'jml_atom_rad_subs_hfus',\n",
       " 'jml_hfus_subs_atom_rad',\n",
       " 'jml_therm_cond_subs_atom_rad',\n",
       " 'jml_hfus_subs_mol_vol',\n",
       " 'jml_bp_divi_atom_rad',\n",
       " 'jml_mol_vol_subs_hfus',\n",
       " 'jml_atom_rad_subs_therm_cond',\n",
       " 'jml_mol_vol_add_bp',\n",
       " 'jml_voro_coord_subs_polzbl',\n",
       " 'jml_mean_charge_101',\n",
       " 'jml_elec_aff_add_therm_cond',\n",
       " 'jml_atom_mass_divi_voro_coord',\n",
       " 'jml_first_ion_en_subs_bp',\n",
       " 'jml_mean_charge_103',\n",
       " 'jml_hfus_subs_therm_cond',\n",
       " 'jml_hfus_add_mol_vol',\n",
       " 'rdf [3.70000 - 3.80000]A',\n",
       " 'jml_mol_vol_divi_first_ion_en',\n",
       " 'jml_X_subs_therm_cond',\n",
       " 'jml_polzbl_mult_atom_mass',\n",
       " 'jml_atom_rad',\n",
       " 'jml_mol_vol_mult_atom_rad',\n",
       " 'jml_polzbl_mult_X',\n",
       " 'jml_mp_subs_voro_coord',\n",
       " 'jml_mol_vol_subs_elec_aff',\n",
       " 'jml_therm_cond_subs_X',\n",
       " 'jml_first_ion_en_subs_mol_vol',\n",
       " 'jml_mean_charge_45',\n",
       " 'jml_therm_cond',\n",
       " 'jml_mean_charge_13',\n",
       " 'jml_polzbl_subs_atom_mass',\n",
       " 'jml_therm_cond_divi_atom_mass',\n",
       " 'jml_polzbl_divi_atom_rad',\n",
       " 'jml_mean_charge_7',\n",
       " 'jml_mean_charge_43',\n",
       " 'jml_mean_charge_15',\n",
       " 'jml_mean_charge_106',\n",
       " 'jml_mean_charge_16',\n",
       " 'jml_therm_cond_mult_voro_coord',\n",
       " 'jml_polzbl_subs_voro_coord',\n",
       " 'jml_mol_vol',\n",
       " 'jml_atom_mass_divi_atom_rad',\n",
       " 'jml_mol_vol_mult_voro_coord',\n",
       " 'jml_mean_charge_31',\n",
       " 'jml_polzbl_add_voro_coord',\n",
       " 'jml_mean_charge_110',\n",
       " 'jml_mean_charge_14',\n",
       " 'jml_mean_charge_107',\n",
       " 'jml_mean_charge_35',\n",
       " 'jml_mean_charge_40',\n",
       " 'jml_atom_mass_mult_atom_rad',\n",
       " 'jml_mean_charge_12',\n",
       " 'jml_mean_charge_42',\n",
       " 'jml_mean_charge_105',\n",
       " 'jml_first_ion_en_mult_atom_mass',\n",
       " 'jml_therm_cond_subs_first_ion_en',\n",
       " 'jml_mean_charge_112',\n",
       " 'jml_mean_charge_104',\n",
       " 'jml_mean_charge_108',\n",
       " 'jml_mean_charge_4',\n",
       " 'jml_adf1_90',\n",
       " 'jml_mean_charge_33',\n",
       " 'jml_mean_charge_32',\n",
       " 'jml_atom_mass_subs_polzbl',\n",
       " 'xrd_4',\n",
       " 'jml_mean_charge_41',\n",
       " 'jml_adf1_35',\n",
       " 'rdf [2.40000 - 2.50000]A',\n",
       " 'jml_mean_charge_2',\n",
       " 'jml_mean_charge_111',\n",
       " 'jml_elec_aff_subs_polzbl',\n",
       " 'jml_mean_charge_115',\n",
       " 'jml_polzbl_add_mol_vol',\n",
       " 'jml_polzbl_mult_mol_vol',\n",
       " 'jml_mean_charge_5',\n",
       " 'jml_nn_25',\n",
       " 'jml_rdf_23',\n",
       " 'jml_adf1_119',\n",
       " 'jml_adf1_109',\n",
       " 'jml_adf1_133',\n",
       " 'jml_mean_charge_39',\n",
       " 'jml_mean_charge_6',\n",
       " 'jml_adf1_64',\n",
       " 'jml_adf1_95',\n",
       " 'jml_mean_charge_109',\n",
       " 'jml_polzbl_mult_atom_rad',\n",
       " 'jml_mean_charge_36',\n",
       " 'jml_polzbl_subs_hfus',\n",
       " 'jml_ddf_161',\n",
       " 'jml_polzbl_add_elec_aff',\n",
       " 'jml_adf1_120',\n",
       " 'jml_mean_charge_38',\n",
       " 'jml_atom_rad_divi_first_ion_en',\n",
       " 'jml_adf1_104',\n",
       " 'jml_polzbl_subs_elec_aff',\n",
       " 'jml_npvalence',\n",
       " 'jml_adf1_48',\n",
       " 'jml_mean_charge_116',\n",
       " 'jml_atom_mass_divi_first_ion_en',\n",
       " ...]"
      ]
     },
     "execution_count": 83,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "dist=[]\n",
    "for i in range(X.shape[1]):\n",
    "    dist.append(feat_labels[indices[i]])\n",
    "dist"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 85,
   "id": "255de3b2",
   "metadata": {},
   "outputs": [],
   "source": [
    "np.save('dist.npy',dist)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "929cf9dd",
   "metadata": {},
   "outputs": [],
   "source": [
    "from sklearn.model_selection import train_test_split\n",
    "from sklearn.ensemble import GradientBoostingClassifier\n",
    "from sklearn import metrics"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 45,
   "id": "0b7ca45d",
   "metadata": {},
   "outputs": [],
   "source": [
    "def GBDT(X,y):\n",
    "    X_train, X_test, y_train, y_test = train_test_split(X, y, test_size = 0.2, random_state=0)\n",
    "    gbdt = GradientBoostingClassifier(learning_rate=0.1,n_estimators=290,max_depth=8, min_samples_split =7,random_state=0)\n",
    "    gbdt.fit(X_train,y_train)\n",
    "    \n",
    "    y_predprob = gbdt.predict_proba(X_test)[:,1]\n",
    "    y_pred = gbdt.predict(X_test)\n",
    "    return(metrics.roc_auc_score(y_test, y_predprob),metrics.accuracy_score(y_test,y_pred))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "21e9e54f",
   "metadata": {},
   "outputs": [],
   "source": [
    "def best(X,y):\n",
    "    for i in range(2,50):\n",
    "        X1 = X[:,0:i]\n",
    "        y1 = y\n",
    "        \n",
    "        print(GBDT(X1,y1),i)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 87,
   "id": "10d94d99",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>vpa</th>\n",
       "      <th>spacegroup_num</th>\n",
       "      <th>avg_dev neighbor distance variation</th>\n",
       "      <th>density</th>\n",
       "      <th>jml_ndunfill</th>\n",
       "      <th>crystal_system_int</th>\n",
       "      <th>jml_mol_vol_divi_polzbl</th>\n",
       "      <th>maximum neighbor distance variation</th>\n",
       "      <th>jml_first_ion_en_divi_hfus</th>\n",
       "      <th>jml_atom_rad_divi_hfus</th>\n",
       "      <th>...</th>\n",
       "      <th>jml_C-15</th>\n",
       "      <th>jml_C-9</th>\n",
       "      <th>jml_C-18</th>\n",
       "      <th>jml_C-30</th>\n",
       "      <th>jml_C-32</th>\n",
       "      <th>jml_C-5</th>\n",
       "      <th>jml_C-3</th>\n",
       "      <th>jml_C-34</th>\n",
       "      <th>jml_C-19</th>\n",
       "      <th>jml_C-22</th>\n",
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       "  </thead>\n",
       "  <tbody>\n",
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       "      <th>0</th>\n",
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       "      <td>4.945340</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>4</td>\n",
       "      <td>2.787869</td>\n",
       "      <td>0.223769</td>\n",
       "      <td>115.518496</td>\n",
       "      <td>19.053424</td>\n",
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       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>11.629333</td>\n",
       "      <td>122</td>\n",
       "      <td>0.059831</td>\n",
       "      <td>3.833648</td>\n",
       "      <td>2.000000</td>\n",
       "      <td>4</td>\n",
       "      <td>10.104253</td>\n",
       "      <td>0.209501</td>\n",
       "      <td>2205.930222</td>\n",
       "      <td>102.936869</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>16.555643</td>\n",
       "      <td>19</td>\n",
       "      <td>0.076257</td>\n",
       "      <td>3.101543</td>\n",
       "      <td>2.333333</td>\n",
       "      <td>5</td>\n",
       "      <td>4.851615</td>\n",
       "      <td>0.235647</td>\n",
       "      <td>1419.467335</td>\n",
       "      <td>69.492610</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>14.287718</td>\n",
       "      <td>173</td>\n",
       "      <td>0.073002</td>\n",
       "      <td>2.175750</td>\n",
       "      <td>2.333333</td>\n",
       "      <td>2</td>\n",
       "      <td>4.760123</td>\n",
       "      <td>0.223482</td>\n",
       "      <td>1405.219390</td>\n",
       "      <td>69.022114</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>13.089161</td>\n",
       "      <td>7</td>\n",
       "      <td>0.020435</td>\n",
       "      <td>2.574819</td>\n",
       "      <td>1.666667</td>\n",
       "      <td>6</td>\n",
       "      <td>4.736269</td>\n",
       "      <td>0.185899</td>\n",
       "      <td>1438.251709</td>\n",
       "      <td>85.430209</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2858</th>\n",
       "      <td>13.185748</td>\n",
       "      <td>1</td>\n",
       "      <td>0.072965</td>\n",
       "      <td>3.363133</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>7</td>\n",
       "      <td>10.783171</td>\n",
       "      <td>0.204109</td>\n",
       "      <td>3314.859896</td>\n",
       "      <td>131.819155</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2859</th>\n",
       "      <td>11.351597</td>\n",
       "      <td>1</td>\n",
       "      <td>0.008748</td>\n",
       "      <td>3.811793</td>\n",
       "      <td>1.250000</td>\n",
       "      <td>7</td>\n",
       "      <td>6.064349</td>\n",
       "      <td>0.165095</td>\n",
       "      <td>1627.346568</td>\n",
       "      <td>87.750977</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2860</th>\n",
       "      <td>10.842046</td>\n",
       "      <td>38</td>\n",
       "      <td>0.076158</td>\n",
       "      <td>2.925293</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>5</td>\n",
       "      <td>6.548157</td>\n",
       "      <td>0.409067</td>\n",
       "      <td>1609.140098</td>\n",
       "      <td>82.948610</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2861</th>\n",
       "      <td>11.820726</td>\n",
       "      <td>8</td>\n",
       "      <td>0.067900</td>\n",
       "      <td>3.505517</td>\n",
       "      <td>1.000000</td>\n",
       "      <td>6</td>\n",
       "      <td>10.783171</td>\n",
       "      <td>0.218953</td>\n",
       "      <td>3314.859896</td>\n",
       "      <td>131.819155</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2862</th>\n",
       "      <td>11.358890</td>\n",
       "      <td>38</td>\n",
       "      <td>0.058461</td>\n",
       "      <td>4.390189</td>\n",
       "      <td>1.333333</td>\n",
       "      <td>5</td>\n",
       "      <td>14.199218</td>\n",
       "      <td>0.202824</td>\n",
       "      <td>4359.905206</td>\n",
       "      <td>159.647762</td>\n",
       "      <td>...</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "      <td>0.0</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2863 rows × 1923 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "            vpa  spacegroup_num  avg_dev neighbor distance variation  \\\n",
       "0     40.090293             121                             0.034208   \n",
       "1     11.629333             122                             0.059831   \n",
       "2     16.555643              19                             0.076257   \n",
       "3     14.287718             173                             0.073002   \n",
       "4     13.089161               7                             0.020435   \n",
       "...         ...             ...                                  ...   \n",
       "2858  13.185748               1                             0.072965   \n",
       "2859  11.351597               1                             0.008748   \n",
       "2860  10.842046              38                             0.076158   \n",
       "2861  11.820726               8                             0.067900   \n",
       "2862  11.358890              38                             0.058461   \n",
       "\n",
       "       density  jml_ndunfill  crystal_system_int  jml_mol_vol_divi_polzbl  \\\n",
       "0     4.945340      0.000000                   4                 2.787869   \n",
       "1     3.833648      2.000000                   4                10.104253   \n",
       "2     3.101543      2.333333                   5                 4.851615   \n",
       "3     2.175750      2.333333                   2                 4.760123   \n",
       "4     2.574819      1.666667                   6                 4.736269   \n",
       "...        ...           ...                 ...                      ...   \n",
       "2858  3.363133      1.000000                   7                10.783171   \n",
       "2859  3.811793      1.250000                   7                 6.064349   \n",
       "2860  2.925293      1.000000                   5                 6.548157   \n",
       "2861  3.505517      1.000000                   6                10.783171   \n",
       "2862  4.390189      1.333333                   5                14.199218   \n",
       "\n",
       "      maximum neighbor distance variation  jml_first_ion_en_divi_hfus  \\\n",
       "0                                0.223769                  115.518496   \n",
       "1                                0.209501                 2205.930222   \n",
       "2                                0.235647                 1419.467335   \n",
       "3                                0.223482                 1405.219390   \n",
       "4                                0.185899                 1438.251709   \n",
       "...                                   ...                         ...   \n",
       "2858                             0.204109                 3314.859896   \n",
       "2859                             0.165095                 1627.346568   \n",
       "2860                             0.409067                 1609.140098   \n",
       "2861                             0.218953                 3314.859896   \n",
       "2862                             0.202824                 4359.905206   \n",
       "\n",
       "      jml_atom_rad_divi_hfus  ...  jml_C-15  jml_C-9  jml_C-18  jml_C-30  \\\n",
       "0                  19.053424  ...       0.0      0.0       0.0       0.0   \n",
       "1                 102.936869  ...       0.0      0.0       0.0       0.0   \n",
       "2                  69.492610  ...       0.0      0.0       0.0       0.0   \n",
       "3                  69.022114  ...       0.0      0.0       0.0       0.0   \n",
       "4                  85.430209  ...       0.0      0.0       0.0       0.0   \n",
       "...                      ...  ...       ...      ...       ...       ...   \n",
       "2858              131.819155  ...       0.0      0.0       0.0       0.0   \n",
       "2859               87.750977  ...       0.0      0.0       0.0       0.0   \n",
       "2860               82.948610  ...       0.0      0.0       0.0       0.0   \n",
       "2861              131.819155  ...       0.0      0.0       0.0       0.0   \n",
       "2862              159.647762  ...       0.0      0.0       0.0       0.0   \n",
       "\n",
       "      jml_C-32  jml_C-5  jml_C-3  jml_C-34  jml_C-19  jml_C-22  \n",
       "0          0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "1          0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "2          0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "3          0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "4          0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "...        ...      ...      ...       ...       ...       ...  \n",
       "2858       0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "2859       0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "2860       0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "2861       0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "2862       0.0      0.0      0.0       0.0       0.0       0.0  \n",
       "\n",
       "[2863 rows x 1923 columns]"
      ]
     },
     "execution_count": 87,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_em = df[dist]\n",
    "df_em"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 102,
   "id": "a7fd3a65",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([[4.00902933e+01, 1.21000000e+02, 3.42083117e-02, ...,\n",
       "        3.71058067e+00, 4.67877785e-04, 1.18911794e-03],\n",
       "       [1.16293325e+01, 1.22000000e+02, 5.98305401e-02, ...,\n",
       "        4.73598273e+01, 5.58002775e-03, 1.78582555e-03],\n",
       "       [1.65556434e+01, 1.90000000e+01, 7.62570855e-02, ...,\n",
       "        3.67756155e+01, 9.69935265e-03, 2.90373625e-03],\n",
       "       ...,\n",
       "       [1.08420462e+01, 3.80000000e+01, 7.61583037e-02, ...,\n",
       "        2.87363608e+01, 7.59913130e-03, 1.74450973e-03],\n",
       "       [1.18207257e+01, 8.00000000e+00, 6.79003013e-02, ...,\n",
       "        1.14380486e+01, 6.50517513e-03, 2.54772472e-03],\n",
       "       [1.13588903e+01, 3.80000000e+01, 5.84611178e-02, ...,\n",
       "        1.18513425e+01, 1.67618356e-02, 1.94198029e-03]])"
      ]
     },
     "execution_count": 102,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "X = df_em.iloc[:,0:150].values\n",
    "X"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 112,
   "id": "ef427f32",
   "metadata": {},
   "outputs": [],
   "source": [
    "df_X = df_em.iloc[:,0:150]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 95,
   "id": "0cbb4cb7",
   "metadata": {},
   "outputs": [],
   "source": [
    "from sklearn.preprocessing import MinMaxScaler\n",
    "\n",
    "X = MinMaxScaler().fit_transform(X)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 89,
   "id": "44f6e0b6",
   "metadata": {},
   "outputs": [],
   "source": [
    "y = df.iloc[:,1923].values"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 98,
   "id": "9b8ae56d",
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "(0.7756869772998806, 0.787085514834206) 2\n",
      "(0.7985862206292313, 0.8184991273996509) 3\n",
      "(0.8285742731979291, 0.8219895287958116) 4\n",
      "(0.8419753086419753, 0.8359511343804538) 5\n",
      "(0.8384508164078057, 0.8254799301919721) 6\n",
      "(0.8581043409000397, 0.837696335078534) 7\n",
      "(0.854221425726802, 0.8429319371727748) 8\n",
      "(0.867273994424532, 0.8429319371727748) 9\n",
      "(0.8802070888092394, 0.8481675392670157) 10\n",
      "(0.8732974910394266, 0.8516579406631762) 11\n",
      "(0.8648546395858224, 0.8411867364746946) 12\n",
      "(0.8542811628833133, 0.8464223385689355) 13\n",
      "(0.8558144165671048, 0.8481675392670157) 14\n",
      "(0.8625647152528872, 0.8551483420593369) 15\n",
      "(0.8662883313420948, 0.8481675392670157) 16\n",
      "(0.8640581441656711, 0.8481675392670157) 17\n",
      "(0.8613301473516527, 0.8516579406631762) 18\n",
      "(0.8710673038630028, 0.849912739965096) 19\n",
      "(0.865452011150936, 0.8394415357766143) 20\n",
      "(0.8658900836320191, 0.837696335078534) 21\n",
      "(0.8726503385105535, 0.8429319371727748) 22\n",
      "(0.8611310234966149, 0.8429319371727748) 23\n",
      "(0.8632019115890084, 0.8429319371727748) 24\n",
      "(0.8707885304659498, 0.8394415357766143) 25\n",
      "(0.8615491835921945, 0.8429319371727748) 26\n",
      "(0.8739147749900439, 0.8446771378708552) 27\n",
      "(0.8603544404619674, 0.8446771378708552) 28\n",
      "(0.8654719235364396, 0.8446771378708552) 29\n",
      "(0.8771206690561529, 0.8464223385689355) 30\n",
      "(0.8708980485862207, 0.8481675392670157) 31\n",
      "(0.8520509757068897, 0.8464223385689355) 32\n",
      "(0.8680804460374353, 0.8446771378708552) 33\n",
      "(0.86415770609319, 0.8411867364746946) 34\n",
      "(0.8648148148148148, 0.8446771378708552) 35\n",
      "(0.8686180804460374, 0.8481675392670157) 36\n",
      "(0.8679410593389089, 0.849912739965096) 37\n",
      "(0.8704898446833931, 0.8446771378708552) 38\n",
      "(0.8754480286738352, 0.8446771378708552) 39\n",
      "(0.8700318598168061, 0.8429319371727748) 40\n",
      "(0.8689167662285942, 0.8603839441535777) 41\n",
      "(0.8745121465551573, 0.8446771378708552) 42\n",
      "(0.8634408602150538, 0.8446771378708552) 43\n",
      "(0.864336917562724, 0.8411867364746946) 44\n",
      "(0.8745121465551573, 0.8568935427574171) 45\n",
      "(0.8682596575069693, 0.837696335078534) 46\n",
      "(0.859916367980884, 0.8481675392670157) 47\n",
      "(0.8613500597371565, 0.8411867364746946) 48\n",
      "(0.8634209478295499, 0.849912739965096) 49\n"
     ]
    }
   ],
   "source": [
    "best(X,y)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "3d5adccc",
   "metadata": {},
   "outputs": [],
   "source": [
    "from sklearn.feature_selection import SelectKBest"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 105,
   "id": "31c7672d",
   "metadata": {},
   "outputs": [],
   "source": [
    "from scipy.stats import pearsonr\n",
    "\n",
    "X_pearsonr = SelectKBest(lambda X, Y: np.array(list(map(lambda x: pearsonr(x, Y)[0], X.T))).T, k=50).fit_transform(X, y)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 106,
   "id": "2195a67e",
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "(0.6589107925129432, 0.7923211169284468) 2\n",
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      "(0.8278773397052966, 0.8516579406631762) 35\n",
      "(0.8286539227399442, 0.8516579406631762) 36\n",
      "(0.8297491039426524, 0.8429319371727748) 37\n",
      "(0.8358223815213062, 0.8551483420593369) 38\n",
      "(0.8208482676224611, 0.8534031413612565) 39\n",
      "(0.8215252887295899, 0.8568935427574171) 40\n",
      "(0.8261847869374751, 0.8394415357766143) 41\n",
      "(0.8337913181999204, 0.8446771378708552) 42\n",
      "(0.8239147749900438, 0.8394415357766143) 43\n",
      "(0.8475308641975308, 0.8534031413612565) 44\n",
      "(0.8382915173237755, 0.8516579406631762) 45\n",
      "(0.8498606133014736, 0.8429319371727748) 46\n",
      "(0.8487654320987654, 0.8568935427574171) 47\n",
      "(0.8370967741935483, 0.8481675392670157) 48\n",
      "(0.8366188769414575, 0.8464223385689355) 49\n"
     ]
    }
   ],
   "source": [
    "best(X_pearsonr,y)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "9eee0902",
   "metadata": {},
   "outputs": [
    {
     "ename": "NameError",
     "evalue": "name 'df_X' is not defined",
     "output_type": "error",
     "traceback": [
      "\u001b[1;31m---------------------------------------------------------------------------\u001b[0m",
      "\u001b[1;31mNameError\u001b[0m                                 Traceback (most recent call last)",
      "\u001b[1;32m<ipython-input-10-cfa52fd0b790>\u001b[0m in \u001b[0;36m<module>\u001b[1;34m\u001b[0m\n\u001b[0;32m      9\u001b[0m \u001b[1;31m#选择K个最好的特征，返回特征选择后的数据\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0;32m     10\u001b[0m \u001b[0mselector1\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0mSelectKBest\u001b[0m\u001b[1;33m(\u001b[0m\u001b[1;32mlambda\u001b[0m \u001b[0mX\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mY\u001b[0m\u001b[1;33m:\u001b[0m \u001b[0mnp\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0marray\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mlist\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mmap\u001b[0m\u001b[1;33m(\u001b[0m\u001b[1;32mlambda\u001b[0m \u001b[0mx\u001b[0m\u001b[1;33m:\u001b[0m\u001b[0mmic\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mx\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mY\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m[\u001b[0m\u001b[1;36m0\u001b[0m\u001b[1;33m]\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mX\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0mT\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0mT\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0mk\u001b[0m\u001b[1;33m=\u001b[0m\u001b[1;36m50\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[1;32m---> 11\u001b[1;33m \u001b[0mX_mic\u001b[0m \u001b[1;33m=\u001b[0m \u001b[0mselector1\u001b[0m\u001b[1;33m.\u001b[0m\u001b[0mfit_transform\u001b[0m\u001b[1;33m(\u001b[0m\u001b[0mdf_X\u001b[0m\u001b[1;33m,\u001b[0m \u001b[0my\u001b[0m\u001b[1;33m)\u001b[0m\u001b[1;33m\u001b[0m\u001b[1;33m\u001b[0m\u001b[0m\n\u001b[0m",
      "\u001b[1;31mNameError\u001b[0m: name 'df_X' is not defined"
     ]
    }
   ],
   "source": [
    "from minepy import MINE\n",
    " \n",
    " #由于MINE的设计不是函数式的，定义mic方法将其为函数式的，返回一个二元组，二元组的第2项设置成固定的P值0.5\n",
    "def mic(x, y):\n",
    "    m = MINE()\n",
    "    m.compute_score(x, y)\n",
    "    return (m.mic(), 0.5)\n",
    "\n",
    "#选择K个最好的特征，返回特征选择后的数据\n",
    "selector1 = SelectKBest(lambda X, Y: np.array(list(map(lambda x:mic(x, Y)[0], X.T))).T, k=50)\n",
    "X_mic = selector1.fit_transform(df_X, y) "
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 114,
   "id": "a23d927f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "array([[4.00902933e+01, 1.21000000e+02, 4.94533994e+00, ...,\n",
       "        1.86810344e+01, 2.04746667e+00, 1.26732951e+06],\n",
       "       [1.16293325e+01, 1.22000000e+02, 3.83364777e+00, ...,\n",
       "        1.40432748e+01, 1.86148333e+00, 4.61424141e+06],\n",
       "       [1.65556434e+01, 1.90000000e+01, 3.10154253e+00, ...,\n",
       "        9.36221647e+00, 2.42866667e-01, 2.95189332e+06],\n",
       "       ...,\n",
       "       [1.08420462e+01, 3.80000000e+01, 2.92529293e+00, ...,\n",
       "        8.51871345e+00, 7.51825000e-01, 5.68833158e+06],\n",
       "       [1.18207257e+01, 8.00000000e+00, 3.50551729e+00, ...,\n",
       "        1.52478154e+01, 8.92500000e-01, 1.60446949e+06],\n",
       "       [1.13588903e+01, 3.80000000e+01, 4.39018924e+00, ...,\n",
       "        2.02353449e+01, 9.01933333e-01, 1.89505621e+06]])"
      ]
     },
     "execution_count": 114,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "X_mic"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 108,
   "id": "0e46a502",
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "(0.7756869772998806, 0.787085514834206) 2\n",
      "(0.8047988849064117, 0.8115183246073299) 3\n",
      "(0.8365989645559538, 0.8394415357766143) 4\n",
      "(0.8474512146555158, 0.8359511343804538) 5\n",
      "(0.856152927120669, 0.8359511343804538) 6\n",
      "(0.8528474711270411, 0.8429319371727748) 7\n",
      "(0.8680605336519316, 0.849912739965096) 8\n",
      "(0.8598964555953803, 0.8429319371727748) 9\n",
      "(0.847152528872959, 0.8411867364746946) 10\n",
      "(0.8514934289127838, 0.8481675392670157) 11\n",
      "(0.8444046196734369, 0.8481675392670157) 12\n",
      "(0.8506969334926324, 0.8464223385689355) 13\n",
      "(0.8481680605336519, 0.837696335078534) 14\n",
      "(0.8587216248506571, 0.8464223385689355) 15\n",
      "(0.8619275189167662, 0.8394415357766143) 16\n",
      "(0.8581441656710475, 0.8429319371727748) 17\n",
      "(0.851652727996814, 0.8342059336823735) 18\n",
      "(0.8509956192751892, 0.8324607329842932) 19\n",
      "(0.8566308243727598, 0.8342059336823735) 20\n",
      "(0.8623855037833533, 0.8359511343804538) 21\n",
      "(0.8590601354042213, 0.8324607329842932) 22\n",
      "(0.8551772202309836, 0.8289703315881326) 23\n",
      "(0.8585623257666268, 0.8429319371727748) 24\n",
      "(0.8645360414177619, 0.8446771378708552) 25\n",
      "(0.8648546395858223, 0.8516579406631762) 26\n",
      "(0.8676622859418559, 0.8429319371727748) 27\n",
      "(0.8617084826762246, 0.8411867364746946) 28\n",
      "(0.8477299880525687, 0.837696335078534) 29\n",
      "(0.8630027877339705, 0.8429319371727748) 30\n",
      "(0.8778972520908005, 0.8586387434554974) 31\n",
      "(0.8710872162485066, 0.8464223385689355) 32\n",
      "(0.882636399840701, 0.8691099476439791) 33\n",
      "(0.8795499800876145, 0.8586387434554974) 34\n",
      "(0.8707487056949422, 0.8534031413612565) 35\n",
      "(0.8801871764237356, 0.8621291448516579) 36\n",
      "(0.8760454002389486, 0.837696335078534) 37\n",
      "(0.8732576662684189, 0.8516579406631762) 38\n",
      "(0.8752090800477897, 0.8534031413612565) 39\n",
      "(0.8737554759060135, 0.849912739965096) 40\n",
      "(0.8658303464755077, 0.8551483420593369) 41\n",
      "(0.8700318598168061, 0.8568935427574171) 42\n",
      "(0.8695340501792115, 0.8568935427574171) 43\n",
      "(0.871326164874552, 0.8551483420593369) 44\n",
      "(0.874074074074074, 0.8621291448516579) 45\n",
      "(0.868657905217045, 0.8551483420593369) 46\n",
      "(0.8618279569892473, 0.8516579406631762) 47\n",
      "(0.8678614097968937, 0.8534031413612565) 48\n",
      "(0.8713062524890482, 0.8586387434554974) 49\n"
     ]
    }
   ],
   "source": [
    "best(X_mic,y)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 115,
   "id": "5eb0a2fe",
   "metadata": {},
   "outputs": [],
   "source": [
    "idx = selector1.get_feature_names_out()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 117,
   "id": "98b9da9a",
   "metadata": {},
   "outputs": [],
   "source": [
    "df_mic = df_X[idx]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 118,
   "id": "0cfe5abd",
   "metadata": {
    "collapsed": true
   },
   "outputs": [
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       "      <th></th>\n",
       "      <th>vpa</th>\n",
       "      <th>spacegroup_num</th>\n",
       "      <th>density</th>\n",
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       "      <th>jml_atom_rad_divi_bp</th>\n",
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       "      <td>1.593841</td>\n",
       "      <td>14.043275</td>\n",
       "      <td>1.861483</td>\n",
       "      <td>4.614241e+06</td>\n",
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       "      <td>19</td>\n",
       "      <td>3.101543</td>\n",
       "      <td>4.851615</td>\n",
       "      <td>1419.467335</td>\n",
       "      <td>69.492610</td>\n",
       "      <td>344.354930</td>\n",
       "      <td>-6.130234</td>\n",
       "      <td>174.847130</td>\n",
       "      <td>5.218476</td>\n",
       "      <td>...</td>\n",
       "      <td>14.344871</td>\n",
       "      <td>189.988932</td>\n",
       "      <td>0.004292</td>\n",
       "      <td>88576.966104</td>\n",
       "      <td>0.003304</td>\n",
       "      <td>0.063077</td>\n",
       "      <td>1.027009</td>\n",
       "      <td>9.362216</td>\n",
       "      <td>0.242867</td>\n",
       "      <td>2.951893e+06</td>\n",
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       "      <td>14.351144</td>\n",
       "      <td>164.565298</td>\n",
       "      <td>0.004184</td>\n",
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       "      <td>0.003290</td>\n",
       "      <td>0.663807</td>\n",
       "      <td>1.194306</td>\n",
       "      <td>6.366326</td>\n",
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       "      <td>0.045798</td>\n",
       "      <td>1.312175</td>\n",
       "      <td>10.961166</td>\n",
       "      <td>0.397217</td>\n",
       "      <td>6.911491e+06</td>\n",
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       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2858</th>\n",
       "      <td>13.185748</td>\n",
       "      <td>1</td>\n",
       "      <td>3.363133</td>\n",
       "      <td>10.783171</td>\n",
       "      <td>3314.859896</td>\n",
       "      <td>131.819155</td>\n",
       "      <td>785.482503</td>\n",
       "      <td>-4.152556</td>\n",
       "      <td>264.424145</td>\n",
       "      <td>0.568283</td>\n",
       "      <td>...</td>\n",
       "      <td>12.668165</td>\n",
       "      <td>176.146619</td>\n",
       "      <td>0.006065</td>\n",
       "      <td>47321.631276</td>\n",
       "      <td>0.003469</td>\n",
       "      <td>0.581360</td>\n",
       "      <td>0.473319</td>\n",
       "      <td>15.247815</td>\n",
       "      <td>0.892500</td>\n",
       "      <td>1.604469e+06</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2859</th>\n",
       "      <td>11.351597</td>\n",
       "      <td>1</td>\n",
       "      <td>3.811793</td>\n",
       "      <td>6.064349</td>\n",
       "      <td>1627.346568</td>\n",
       "      <td>87.750977</td>\n",
       "      <td>458.528565</td>\n",
       "      <td>-4.786163</td>\n",
       "      <td>163.439909</td>\n",
       "      <td>3.811793</td>\n",
       "      <td>...</td>\n",
       "      <td>7.715690</td>\n",
       "      <td>184.419127</td>\n",
       "      <td>0.004770</td>\n",
       "      <td>84608.312570</td>\n",
       "      <td>0.002138</td>\n",
       "      <td>0.045299</td>\n",
       "      <td>0.905329</td>\n",
       "      <td>8.325901</td>\n",
       "      <td>0.746525</td>\n",
       "      <td>1.976470e+06</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2860</th>\n",
       "      <td>10.842046</td>\n",
       "      <td>38</td>\n",
       "      <td>2.925293</td>\n",
       "      <td>6.548157</td>\n",
       "      <td>1609.140098</td>\n",
       "      <td>82.948610</td>\n",
       "      <td>442.984090</td>\n",
       "      <td>-6.030469</td>\n",
       "      <td>163.350559</td>\n",
       "      <td>3.135261</td>\n",
       "      <td>...</td>\n",
       "      <td>7.644071</td>\n",
       "      <td>781.694921</td>\n",
       "      <td>0.003776</td>\n",
       "      <td>59829.275220</td>\n",
       "      <td>0.002040</td>\n",
       "      <td>0.061114</td>\n",
       "      <td>0.963109</td>\n",
       "      <td>8.518713</td>\n",
       "      <td>0.751825</td>\n",
       "      <td>5.688332e+06</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2861</th>\n",
       "      <td>11.820726</td>\n",
       "      <td>8</td>\n",
       "      <td>3.505517</td>\n",
       "      <td>10.783171</td>\n",
       "      <td>3314.859896</td>\n",
       "      <td>131.819155</td>\n",
       "      <td>785.482503</td>\n",
       "      <td>-4.152556</td>\n",
       "      <td>264.424145</td>\n",
       "      <td>3.505517</td>\n",
       "      <td>...</td>\n",
       "      <td>12.668165</td>\n",
       "      <td>176.146619</td>\n",
       "      <td>0.006065</td>\n",
       "      <td>47321.631276</td>\n",
       "      <td>0.003469</td>\n",
       "      <td>0.449899</td>\n",
       "      <td>0.473319</td>\n",
       "      <td>15.247815</td>\n",
       "      <td>0.892500</td>\n",
       "      <td>1.604469e+06</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2862</th>\n",
       "      <td>11.358890</td>\n",
       "      <td>38</td>\n",
       "      <td>4.390189</td>\n",
       "      <td>14.199218</td>\n",
       "      <td>4359.905206</td>\n",
       "      <td>159.647762</td>\n",
       "      <td>936.198893</td>\n",
       "      <td>-4.913446</td>\n",
       "      <td>352.514468</td>\n",
       "      <td>4.390189</td>\n",
       "      <td>...</td>\n",
       "      <td>16.795455</td>\n",
       "      <td>212.740386</td>\n",
       "      <td>0.007021</td>\n",
       "      <td>59358.936701</td>\n",
       "      <td>0.004326</td>\n",
       "      <td>0.366102</td>\n",
       "      <td>0.387742</td>\n",
       "      <td>20.235345</td>\n",
       "      <td>0.901933</td>\n",
       "      <td>1.895056e+06</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2863 rows × 50 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "            vpa  spacegroup_num   density  jml_mol_vol_divi_polzbl  \\\n",
       "0     40.090293             121  4.945340                 2.787869   \n",
       "1     11.629333             122  3.833648                10.104253   \n",
       "2     16.555643              19  3.101543                 4.851615   \n",
       "3     14.287718             173  2.175750                 4.760123   \n",
       "4     13.089161               7  2.574819                 4.736269   \n",
       "...         ...             ...       ...                      ...   \n",
       "2858  13.185748               1  3.363133                10.783171   \n",
       "2859  11.351597               1  3.811793                 6.064349   \n",
       "2860  10.842046              38  2.925293                 6.548157   \n",
       "2861  11.820726               8  3.505517                10.783171   \n",
       "2862  11.358890              38  4.390189                14.199218   \n",
       "\n",
       "      jml_first_ion_en_divi_hfus  jml_atom_rad_divi_hfus  \\\n",
       "0                     115.518496               19.053424   \n",
       "1                    2205.930222              102.936869   \n",
       "2                    1419.467335               69.492610   \n",
       "3                    1405.219390               69.022114   \n",
       "4                    1438.251709               85.430209   \n",
       "...                          ...                     ...   \n",
       "2858                 3314.859896              131.819155   \n",
       "2859                 1627.346568               87.750977   \n",
       "2860                 1609.140098               82.948610   \n",
       "2861                 3314.859896              131.819155   \n",
       "2862                 4359.905206              159.647762   \n",
       "\n",
       "      jml_voro_coord_divi_hfus  jml_oq_enp  jml_mol_vol_divi_therm_cond  \\\n",
       "0                   110.552759   -1.694323                    19.146918   \n",
       "1                   507.323232   -5.544849                   869.085263   \n",
       "2                   344.354930   -6.130234                   174.847130   \n",
       "3                   344.363828   -6.230991                   174.850853   \n",
       "4                   447.273384   -7.296237                   174.850370   \n",
       "...                        ...         ...                          ...   \n",
       "2858                785.482503   -4.152556                   264.424145   \n",
       "2859                458.528565   -4.786163                   163.439909   \n",
       "2860                442.984090   -6.030469                   163.350559   \n",
       "2861                785.482503   -4.152556                   264.424145   \n",
       "2862                936.198893   -4.913446                   352.514468   \n",
       "\n",
       "       jml_vpa  ...  jml_polzbl_divi_therm_cond  jml_bp_divi_polzbl  \\\n",
       "0     0.599408  ...                    3.761085          193.818724   \n",
       "1     3.256205  ...                   91.802541          180.568818   \n",
       "2     5.218476  ...                   14.344871          189.988932   \n",
       "3     3.179717  ...                   14.351144          164.565298   \n",
       "4     3.918575  ...                   14.320146          241.108576   \n",
       "...        ...  ...                         ...                 ...   \n",
       "2858  0.568283  ...                   12.668165          176.146619   \n",
       "2859  3.811793  ...                    7.715690          184.419127   \n",
       "2860  3.135261  ...                    7.644071          781.694921   \n",
       "2861  3.505517  ...                   12.668165          176.146619   \n",
       "2862  4.390189  ...                   16.795455          212.740386   \n",
       "\n",
       "      jml_atom_rad_divi_mp  jml_bp_mult_atom_mass  jml_atom_rad_divi_bp  \\\n",
       "0                 0.002508          145870.870526              0.001736   \n",
       "1                 0.005768          158677.207057              0.003708   \n",
       "2                 0.004292           88576.966104              0.003304   \n",
       "3                 0.004184           73891.997771              0.003290   \n",
       "4                 0.005184          373502.871533              0.003396   \n",
       "...                    ...                    ...                   ...   \n",
       "2858              0.006065           47321.631276              0.003469   \n",
       "2859              0.004770           84608.312570              0.002138   \n",
       "2860              0.003776           59829.275220              0.002040   \n",
       "2861              0.006065           47321.631276              0.003469   \n",
       "2862              0.007021           59358.936701              0.004326   \n",
       "\n",
       "      dist from 5 clusters |APE| < 0.010  jml_hfus_mult_polzbl  \\\n",
       "0                               0.710769              0.544794   \n",
       "1                               0.061556              1.593841   \n",
       "2                               0.063077              1.027009   \n",
       "3                               0.663807              1.194306   \n",
       "4                               0.045798              1.312175   \n",
       "...                                  ...                   ...   \n",
       "2858                            0.581360              0.473319   \n",
       "2859                            0.045299              0.905329   \n",
       "2860                            0.061114              0.963109   \n",
       "2861                            0.449899              0.473319   \n",
       "2862                            0.366102              0.387742   \n",
       "\n",
       "      jml_atom_mass_divi_polzbl  jml_elec_aff_mult_atom_rad  jml_bp_mult_mp  \n",
       "0                     18.681034                    2.047467    1.267330e+06  \n",
       "1                     14.043275                    1.861483    4.614241e+06  \n",
       "2                      9.362216                    0.242867    2.951893e+06  \n",
       "3                      6.366326                    0.242867    3.098789e+06  \n",
       "4                     10.961166                    0.397217    6.911491e+06  \n",
       "...                         ...                         ...             ...  \n",
       "2858                  15.247815                    0.892500    1.604469e+06  \n",
       "2859                   8.325901                    0.746525    1.976470e+06  \n",
       "2860                   8.518713                    0.751825    5.688332e+06  \n",
       "2861                  15.247815                    0.892500    1.604469e+06  \n",
       "2862                  20.235345                    0.901933    1.895056e+06  \n",
       "\n",
       "[2863 rows x 50 columns]"
      ]
     },
     "execution_count": 118,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_mic"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 119,
   "id": "f797df6d",
   "metadata": {},
   "outputs": [],
   "source": [
    "### Filter+Embedded"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "58f72c2a",
   "metadata": {},
   "outputs": [],
   "source": [
    "df_x = df.iloc[:,0:1923]\n",
    "y = df.iloc[:,1923].values"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "58b15b94",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "<ipython-input-12-c7f31f54c6a9>:6: DeprecationWarning: `np.float` is a deprecated alias for the builtin `float`. To silence this warning, use `float` by itself. Doing this will not modify any behavior and is safe. If you specifically wanted the numpy scalar type, use `np.float64` here.\n",
      "Deprecated in NumPy 1.20; for more details and guidance: https://numpy.org/devdocs/release/1.20.0-notes.html#deprecations\n",
      "  m.compute_score(x, y)\n"
     ]
    }
   ],
   "source": [
    "from minepy import MINE\n",
    " \n",
    "\n",
    "def mic(x, y):\n",
    "    m = MINE()\n",
    "    m.compute_score(x, y)\n",
    "    return (m.mic(), 0.5)\n",
    "\n",
    "\n",
    "selector1 = SelectKBest(lambda X, Y: np.array(list(map(lambda x:mic(x, Y)[0], X.T))).T, k=300)\n",
    "X_mic = selector1.fit_transform(df_x, y)\n",
    "\n",
    "name_mic = selector1.get_feature_names_out()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "id": "04d8568c",
   "metadata": {},
   "outputs": [],
   "source": [
    "df_mic = df_x[name_mic]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "id": "b0b0694b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
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       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>jml_voro_coord_divi_therm_cond</th>\n",
       "      <th>jml_mp_divi_therm_cond</th>\n",
       "      <th>jml_C-6</th>\n",
       "      <th>jml_C-1</th>\n",
       "      <th>jml_first_ion_en_divi_atom_mass</th>\n",
       "      <th>jml_mol_vol_divi_hfus</th>\n",
       "      <th>jml_mp_divi_atom_mass</th>\n",
       "      <th>jml_atom_rad_divi_hfus</th>\n",
       "      <th>jml_hfus_add_atom_rad</th>\n",
       "      <th>jml_first_ion_en</th>\n",
       "      <th>...</th>\n",
       "      <th>jml_mean_charge_374</th>\n",
       "      <th>jml_mean_charge_375</th>\n",
       "      <th>jml_mean_charge_376</th>\n",
       "      <th>jml_mean_charge_377</th>\n",
       "      <th>jml_mean_charge_378</th>\n",
       "      <th>minimum neighbor distance variation</th>\n",
       "      <th>vpa</th>\n",
       "      <th>structural complexity per cell</th>\n",
       "      <th>spacegroup_num</th>\n",
       "      <th>avg ionic char</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>3.755619</td>\n",
       "      <td>290.193067</td>\n",
       "      <td>50.633333</td>\n",
       "      <td>50.633333</td>\n",
       "      <td>0.077533</td>\n",
       "      <td>210.556010</td>\n",
       "      <td>6.594334</td>\n",
       "      <td>19.053424</td>\n",
       "      <td>1.600900</td>\n",
       "      <td>9.007103</td>\n",
       "      <td>...</td>\n",
       "      <td>3.226689e-09</td>\n",
       "      <td>3.024112e-09</td>\n",
       "      <td>2.844944e-09</td>\n",
       "      <td>2.669494e-09</td>\n",
       "      <td>2.494044e-09</td>\n",
       "      <td>0.153749</td>\n",
       "      <td>40.090293</td>\n",
       "      <td>9.651484</td>\n",
       "      <td>121</td>\n",
       "      <td>0.038059</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>187.496735</td>\n",
       "      <td>7131.175110</td>\n",
       "      <td>53.500000</td>\n",
       "      <td>53.500000</td>\n",
       "      <td>0.429893</td>\n",
       "      <td>2823.482197</td>\n",
       "      <td>12.621676</td>\n",
       "      <td>102.936869</td>\n",
       "      <td>1.128067</td>\n",
       "      <td>11.114843</td>\n",
       "      <td>...</td>\n",
       "      <td>2.065960e-08</td>\n",
       "      <td>1.955479e-08</td>\n",
       "      <td>1.845005e-08</td>\n",
       "      <td>1.734535e-08</td>\n",
       "      <td>1.624922e-08</td>\n",
       "      <td>0.017166</td>\n",
       "      <td>11.629333</td>\n",
       "      <td>112.877124</td>\n",
       "      <td>122</td>\n",
       "      <td>0.142625</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>38.849978</td>\n",
       "      <td>839.050604</td>\n",
       "      <td>64.166667</td>\n",
       "      <td>64.166667</td>\n",
       "      <td>0.437902</td>\n",
       "      <td>1327.460123</td>\n",
       "      <td>19.314825</td>\n",
       "      <td>69.492610</td>\n",
       "      <td>1.213077</td>\n",
       "      <td>10.224830</td>\n",
       "      <td>...</td>\n",
       "      <td>1.551544e-08</td>\n",
       "      <td>1.463239e-08</td>\n",
       "      <td>1.385147e-08</td>\n",
       "      <td>1.307055e-08</td>\n",
       "      <td>1.229037e-08</td>\n",
       "      <td>0.020766</td>\n",
       "      <td>16.555643</td>\n",
       "      <td>96.000000</td>\n",
       "      <td>19</td>\n",
       "      <td>0.142420</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>38.847200</td>\n",
       "      <td>839.049410</td>\n",
       "      <td>56.933333</td>\n",
       "      <td>56.933333</td>\n",
       "      <td>0.494893</td>\n",
       "      <td>1339.292174</td>\n",
       "      <td>28.443406</td>\n",
       "      <td>69.022114</td>\n",
       "      <td>1.267783</td>\n",
       "      <td>9.642175</td>\n",
       "      <td>...</td>\n",
       "      <td>2.781997e-08</td>\n",
       "      <td>2.620894e-08</td>\n",
       "      <td>2.483002e-08</td>\n",
       "      <td>2.345110e-08</td>\n",
       "      <td>2.207218e-08</td>\n",
       "      <td>0.030068</td>\n",
       "      <td>14.287718</td>\n",
       "      <td>29.793194</td>\n",
       "      <td>173</td>\n",
       "      <td>0.214967</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>38.826578</td>\n",
       "      <td>838.557232</td>\n",
       "      <td>92.333333</td>\n",
       "      <td>92.333333</td>\n",
       "      <td>0.434420</td>\n",
       "      <td>1584.899181</td>\n",
       "      <td>13.069825</td>\n",
       "      <td>85.430209</td>\n",
       "      <td>1.390117</td>\n",
       "      <td>9.168899</td>\n",
       "      <td>...</td>\n",
       "      <td>1.026067e-06</td>\n",
       "      <td>9.815408e-07</td>\n",
       "      <td>9.413356e-07</td>\n",
       "      <td>9.011431e-07</td>\n",
       "      <td>8.609631e-07</td>\n",
       "      <td>0.079370</td>\n",
       "      <td>13.089161</td>\n",
       "      <td>48.000000</td>\n",
       "      <td>7</td>\n",
       "      <td>0.178436</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2858</th>\n",
       "      <td>59.865814</td>\n",
       "      <td>1005.541633</td>\n",
       "      <td>45.800000</td>\n",
       "      <td>45.800000</td>\n",
       "      <td>0.671631</td>\n",
       "      <td>3192.101391</td>\n",
       "      <td>26.008890</td>\n",
       "      <td>131.819155</td>\n",
       "      <td>1.030712</td>\n",
       "      <td>11.083742</td>\n",
       "      <td>...</td>\n",
       "      <td>4.849912e-07</td>\n",
       "      <td>4.643865e-07</td>\n",
       "      <td>4.447349e-07</td>\n",
       "      <td>4.250963e-07</td>\n",
       "      <td>4.054577e-07</td>\n",
       "      <td>0.008878</td>\n",
       "      <td>13.185748</td>\n",
       "      <td>43.019550</td>\n",
       "      <td>1</td>\n",
       "      <td>0.162920</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2859</th>\n",
       "      <td>28.315815</td>\n",
       "      <td>525.168679</td>\n",
       "      <td>50.300000</td>\n",
       "      <td>50.300000</td>\n",
       "      <td>0.461033</td>\n",
       "      <td>2142.654469</td>\n",
       "      <td>28.764902</td>\n",
       "      <td>87.750977</td>\n",
       "      <td>1.262012</td>\n",
       "      <td>7.943895</td>\n",
       "      <td>...</td>\n",
       "      <td>7.731887e-07</td>\n",
       "      <td>7.391798e-07</td>\n",
       "      <td>7.085365e-07</td>\n",
       "      <td>6.778932e-07</td>\n",
       "      <td>6.473190e-07</td>\n",
       "      <td>0.136588</td>\n",
       "      <td>11.351597</td>\n",
       "      <td>128.000000</td>\n",
       "      <td>1</td>\n",
       "      <td>0.169250</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2860</th>\n",
       "      <td>28.282723</td>\n",
       "      <td>529.204603</td>\n",
       "      <td>92.400000</td>\n",
       "      <td>92.400000</td>\n",
       "      <td>0.676745</td>\n",
       "      <td>2095.188666</td>\n",
       "      <td>104.400628</td>\n",
       "      <td>82.948610</td>\n",
       "      <td>1.373575</td>\n",
       "      <td>9.543117</td>\n",
       "      <td>...</td>\n",
       "      <td>4.852671e-07</td>\n",
       "      <td>4.646457e-07</td>\n",
       "      <td>4.449773e-07</td>\n",
       "      <td>4.253229e-07</td>\n",
       "      <td>4.056718e-07</td>\n",
       "      <td>0.070526</td>\n",
       "      <td>10.842046</td>\n",
       "      <td>96.000000</td>\n",
       "      <td>38</td>\n",
       "      <td>0.123519</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2861</th>\n",
       "      <td>59.865814</td>\n",
       "      <td>1005.541633</td>\n",
       "      <td>45.800000</td>\n",
       "      <td>45.800000</td>\n",
       "      <td>0.671631</td>\n",
       "      <td>3192.101391</td>\n",
       "      <td>26.008890</td>\n",
       "      <td>131.819155</td>\n",
       "      <td>1.030712</td>\n",
       "      <td>11.083742</td>\n",
       "      <td>...</td>\n",
       "      <td>4.849912e-07</td>\n",
       "      <td>4.643865e-07</td>\n",
       "      <td>4.447349e-07</td>\n",
       "      <td>4.250963e-07</td>\n",
       "      <td>4.054577e-07</td>\n",
       "      <td>0.024214</td>\n",
       "      <td>11.820726</td>\n",
       "      <td>42.105716</td>\n",
       "      <td>8</td>\n",
       "      <td>0.178934</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2862</th>\n",
       "      <td>79.781869</td>\n",
       "      <td>1338.943000</td>\n",
       "      <td>56.066667</td>\n",
       "      <td>56.066667</td>\n",
       "      <td>0.636578</td>\n",
       "      <td>4111.468521</td>\n",
       "      <td>12.890593</td>\n",
       "      <td>159.647762</td>\n",
       "      <td>0.880950</td>\n",
       "      <td>12.981083</td>\n",
       "      <td>...</td>\n",
       "      <td>3.123484e-09</td>\n",
       "      <td>2.916946e-09</td>\n",
       "      <td>2.745517e-09</td>\n",
       "      <td>2.591319e-09</td>\n",
       "      <td>2.437121e-09</td>\n",
       "      <td>0.023974</td>\n",
       "      <td>11.358890</td>\n",
       "      <td>33.019550</td>\n",
       "      <td>38</td>\n",
       "      <td>0.130658</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2863 rows × 300 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "      jml_voro_coord_divi_therm_cond  jml_mp_divi_therm_cond    jml_C-6  \\\n",
       "0                           3.755619              290.193067  50.633333   \n",
       "1                         187.496735             7131.175110  53.500000   \n",
       "2                          38.849978              839.050604  64.166667   \n",
       "3                          38.847200              839.049410  56.933333   \n",
       "4                          38.826578              838.557232  92.333333   \n",
       "...                              ...                     ...        ...   \n",
       "2858                       59.865814             1005.541633  45.800000   \n",
       "2859                       28.315815              525.168679  50.300000   \n",
       "2860                       28.282723              529.204603  92.400000   \n",
       "2861                       59.865814             1005.541633  45.800000   \n",
       "2862                       79.781869             1338.943000  56.066667   \n",
       "\n",
       "        jml_C-1  jml_first_ion_en_divi_atom_mass  jml_mol_vol_divi_hfus  \\\n",
       "0     50.633333                         0.077533             210.556010   \n",
       "1     53.500000                         0.429893            2823.482197   \n",
       "2     64.166667                         0.437902            1327.460123   \n",
       "3     56.933333                         0.494893            1339.292174   \n",
       "4     92.333333                         0.434420            1584.899181   \n",
       "...         ...                              ...                    ...   \n",
       "2858  45.800000                         0.671631            3192.101391   \n",
       "2859  50.300000                         0.461033            2142.654469   \n",
       "2860  92.400000                         0.676745            2095.188666   \n",
       "2861  45.800000                         0.671631            3192.101391   \n",
       "2862  56.066667                         0.636578            4111.468521   \n",
       "\n",
       "      jml_mp_divi_atom_mass  jml_atom_rad_divi_hfus  jml_hfus_add_atom_rad  \\\n",
       "0                  6.594334               19.053424               1.600900   \n",
       "1                 12.621676              102.936869               1.128067   \n",
       "2                 19.314825               69.492610               1.213077   \n",
       "3                 28.443406               69.022114               1.267783   \n",
       "4                 13.069825               85.430209               1.390117   \n",
       "...                     ...                     ...                    ...   \n",
       "2858              26.008890              131.819155               1.030712   \n",
       "2859              28.764902               87.750977               1.262012   \n",
       "2860             104.400628               82.948610               1.373575   \n",
       "2861              26.008890              131.819155               1.030712   \n",
       "2862              12.890593              159.647762               0.880950   \n",
       "\n",
       "      jml_first_ion_en  ...  jml_mean_charge_374  jml_mean_charge_375  \\\n",
       "0             9.007103  ...         3.226689e-09         3.024112e-09   \n",
       "1            11.114843  ...         2.065960e-08         1.955479e-08   \n",
       "2            10.224830  ...         1.551544e-08         1.463239e-08   \n",
       "3             9.642175  ...         2.781997e-08         2.620894e-08   \n",
       "4             9.168899  ...         1.026067e-06         9.815408e-07   \n",
       "...                ...  ...                  ...                  ...   \n",
       "2858         11.083742  ...         4.849912e-07         4.643865e-07   \n",
       "2859          7.943895  ...         7.731887e-07         7.391798e-07   \n",
       "2860          9.543117  ...         4.852671e-07         4.646457e-07   \n",
       "2861         11.083742  ...         4.849912e-07         4.643865e-07   \n",
       "2862         12.981083  ...         3.123484e-09         2.916946e-09   \n",
       "\n",
       "      jml_mean_charge_376  jml_mean_charge_377  jml_mean_charge_378  \\\n",
       "0            2.844944e-09         2.669494e-09         2.494044e-09   \n",
       "1            1.845005e-08         1.734535e-08         1.624922e-08   \n",
       "2            1.385147e-08         1.307055e-08         1.229037e-08   \n",
       "3            2.483002e-08         2.345110e-08         2.207218e-08   \n",
       "4            9.413356e-07         9.011431e-07         8.609631e-07   \n",
       "...                   ...                  ...                  ...   \n",
       "2858         4.447349e-07         4.250963e-07         4.054577e-07   \n",
       "2859         7.085365e-07         6.778932e-07         6.473190e-07   \n",
       "2860         4.449773e-07         4.253229e-07         4.056718e-07   \n",
       "2861         4.447349e-07         4.250963e-07         4.054577e-07   \n",
       "2862         2.745517e-09         2.591319e-09         2.437121e-09   \n",
       "\n",
       "      minimum neighbor distance variation        vpa  \\\n",
       "0                                0.153749  40.090293   \n",
       "1                                0.017166  11.629333   \n",
       "2                                0.020766  16.555643   \n",
       "3                                0.030068  14.287718   \n",
       "4                                0.079370  13.089161   \n",
       "...                                   ...        ...   \n",
       "2858                             0.008878  13.185748   \n",
       "2859                             0.136588  11.351597   \n",
       "2860                             0.070526  10.842046   \n",
       "2861                             0.024214  11.820726   \n",
       "2862                             0.023974  11.358890   \n",
       "\n",
       "      structural complexity per cell  spacegroup_num  avg ionic char  \n",
       "0                           9.651484             121        0.038059  \n",
       "1                         112.877124             122        0.142625  \n",
       "2                          96.000000              19        0.142420  \n",
       "3                          29.793194             173        0.214967  \n",
       "4                          48.000000               7        0.178436  \n",
       "...                              ...             ...             ...  \n",
       "2858                       43.019550               1        0.162920  \n",
       "2859                      128.000000               1        0.169250  \n",
       "2860                       96.000000              38        0.123519  \n",
       "2861                       42.105716               8        0.178934  \n",
       "2862                       33.019550              38        0.130658  \n",
       "\n",
       "[2863 rows x 300 columns]"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_mic"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "c97c1454",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      " 1) structural complexity per cell 0.034719\n",
      " 2) spacegroup_num                 0.033554\n",
      " 3) vpa                            0.032226\n",
      " 4) minimum neighbor distance variation 0.030183\n",
      " 5) jml_pack_frac                  0.028341\n",
      " 6) jml_density                    0.028340\n",
      " 7) avg ionic char                 0.021483\n",
      " 8) jml_oq_enp                     0.011691\n",
      " 9) jml_mol_vol_divi_polzbl        0.010476\n",
      "10) jml_mp_divi_first_ion_en       0.010400\n",
      "11) jml_voro_coord_divi_polzbl     0.009755\n",
      "12) jml_C-6                        0.009576\n",
      "13) jml_C-1                        0.009495\n",
      "14) jml_bp_mult_mp                 0.009220\n",
      "15) jml_atom_rad_divi_polzbl       0.009116\n",
      "16) jml_jv_enp                     0.009073\n",
      "17) jml_atom_mass_divi_polzbl      0.008845\n",
      "18) jml_bp_divi_first_ion_en       0.008489\n",
      "19) jml_hfus_divi_mp               0.008487\n",
      "20) jml_mean_charge_19             0.008458\n",
      "21) jml_voro_coord_divi_hfus       0.008442\n",
      "22) jml_first_ion_en_divi_hfus     0.008288\n",
      "23) jml_mol_vol_divi_hfus          0.008073\n",
      "24) jml_atom_rad_divi_hfus         0.007776\n",
      "25) jml_first_ion_en_divi_mp       0.007745\n",
      "26) jml_mol_vol_divi_therm_cond    0.007613\n",
      "27) jml_first_ion_en_divi_therm_cond 0.007589\n",
      "28) jml_voro_coord_divi_therm_cond 0.007526\n",
      "29) jml_elec_aff_subs_X            0.007383\n",
      "30) jml_hfus_divi_bp               0.007354\n",
      "31) jml_mp_divi_hfus               0.007344\n",
      "32) jml_hfus_divi_therm_cond       0.007251\n",
      "33) jml_first_ion_en_divi_bp       0.007232\n",
      "34) jml_X_subs_elec_aff            0.007214\n",
      "35) jml_atom_rad_divi_therm_cond   0.007184\n",
      "36) jml_first_ion_en_divi_polzbl   0.007144\n",
      "37) jml_hfus_add_voro_coord        0.006992\n",
      "38) jml_atom_mass_divi_hfus        0.006953\n",
      "39) jml_mol_vol_divi_bp            0.006886\n",
      "40) jml_hfus_subs_voro_coord       0.006849\n",
      "41) jml_therm_cond_divi_polzbl     0.006799\n",
      "42) jml_mol_vol_divi_mp            0.006796\n",
      "43) jml_voro_coord_subs_hfus       0.006787\n",
      "44) jml_mean_charge_16             0.006749\n",
      "45) jml_atom_rad_divi_mp           0.006731\n",
      "46) jml_atom_mass_divi_therm_cond  0.006690\n",
      "47) jml_elec_aff_add_voro_coord    0.006625\n",
      "48) jml_polzbl_divi_bp             0.006566\n",
      "49) jml_bp_divi_mol_vol            0.006547\n",
      "50) jml_mol_vol_divi_atom_rad      0.006544\n",
      "51) jml_mol_vol_divi_atom_mass     0.006539\n",
      "52) jml_mol_vol_mult_therm_cond    0.006520\n",
      "53) jml_voro_coord_divi_atom_rad   0.006480\n",
      "54) jml_voro_coord_divi_bp         0.006479\n",
      "55) jml_first_ion_en_divi_atom_mass 0.006349\n",
      "56) jml_voro_coord_divi_mp         0.006333\n",
      "57) jml_hfus_add_X                 0.006332\n",
      "58) jml_first_ion_en_divi_atom_rad 0.006313\n",
      "59) jml_op_eg                      0.006147\n",
      "60) jml_atom_rad_divi_bp           0.006112\n",
      "61) jml_mp_divi_atom_mass          0.006096\n",
      "62) jml_mop_eg                     0.006092\n",
      "63) jml_bp_divi_therm_cond         0.005913\n",
      "64) jml_polzbl_divi_therm_cond     0.005894\n",
      "65) jml_voro_coord_divi_first_ion_en 0.005853\n",
      "66) jml_first_ion_en_divi_voro_coord 0.005581\n",
      "67) jml_voro_coord_subs_first_ion_en 0.005558\n",
      "68) jml_first_ion_en_subs_voro_coord 0.005538\n",
      "69) jml_mp_divi_therm_cond         0.005529\n",
      "70) jml_hfus_add_atom_rad          0.005463\n",
      "71) jml_mol_vol_add_voro_coord     0.005389\n",
      "72) jml_polzbl_divi_hfus           0.005319\n",
      "73) jml_first_ion_en_mult_X        0.005318\n",
      "74) jml_mol_vol_mult_voro_coord    0.005223\n",
      "75) jml_first_ion_en               0.005127\n",
      "76) jml_first_ion_en_add_X         0.004997\n",
      "77) jml_polzbl_add_voro_coord      0.004978\n",
      "78) jml_hfus_subs_polzbl           0.004808\n",
      "79) jml_polzbl_subs_hfus           0.004801\n",
      "80) jml_polzbl_add_mol_vol         0.004700\n",
      "81) jml_mean_charge_147            0.004037\n",
      "82) jml_mean_charge_149            0.003898\n",
      "83) jml_mean_charge_150            0.003760\n",
      "84) jml_mean_charge_157            0.003188\n",
      "85) jml_mean_charge_160            0.003066\n",
      "86) jml_mean_charge_161            0.002953\n",
      "87) jml_mean_charge_162            0.002898\n",
      "88) jml_mean_charge_164            0.002828\n",
      "89) jml_mean_charge_165            0.002733\n",
      "90) jml_mean_charge_166            0.002607\n",
      "91) jml_mean_charge_167            0.002579\n",
      "92) jml_mean_charge_168            0.002509\n",
      "93) jml_mean_charge_169            0.002464\n",
      "94) jml_mean_charge_171            0.002417\n",
      "95) jml_mean_charge_172            0.002292\n",
      "96) jml_mean_charge_173            0.002263\n",
      "97) jml_mean_charge_174            0.002230\n",
      "98) jml_mean_charge_175            0.002212\n",
      "99) jml_mean_charge_177            0.002129\n",
      "100) jml_mean_charge_178            0.002075\n",
      "101) jml_mean_charge_176            0.002066\n",
      "102) jml_mean_charge_180            0.002005\n",
      "103) jml_mean_charge_179            0.002000\n",
      "104) jml_mean_charge_181            0.001972\n",
      "105) jml_mean_charge_183            0.001906\n",
      "106) jml_mean_charge_182            0.001898\n",
      "107) jml_mean_charge_185            0.001885\n",
      "108) jml_mean_charge_186            0.001864\n",
      "109) jml_mean_charge_189            0.001844\n",
      "110) jml_mean_charge_187            0.001835\n",
      "111) jml_mean_charge_188            0.001786\n",
      "112) jml_mean_charge_190            0.001755\n",
      "113) jml_mean_charge_191            0.001722\n",
      "114) jml_mean_charge_192            0.001698\n",
      "115) jml_mean_charge_195            0.001683\n",
      "116) jml_mean_charge_197            0.001681\n",
      "117) jml_mean_charge_194            0.001663\n",
      "118) jml_mean_charge_193            0.001662\n",
      "119) jml_mean_charge_196            0.001655\n",
      "120) jml_mean_charge_199            0.001615\n",
      "121) jml_mean_charge_198            0.001582\n",
      "122) jml_mean_charge_224            0.001578\n",
      "123) jml_mean_charge_225            0.001577\n",
      "124) jml_mean_charge_223            0.001559\n",
      "125) jml_mean_charge_200            0.001558\n",
      "126) jml_mean_charge_226            0.001556\n",
      "127) jml_mean_charge_233            0.001553\n",
      "128) jml_mean_charge_221            0.001551\n",
      "129) jml_mean_charge_201            0.001549\n",
      "130) jml_mean_charge_203            0.001548\n",
      "131) jml_mean_charge_227            0.001542\n",
      "132) jml_mean_charge_234            0.001542\n",
      "133) jml_mean_charge_217            0.001539\n",
      "134) jml_mean_charge_202            0.001535\n",
      "135) jml_mean_charge_229            0.001534\n",
      "136) jml_mean_charge_222            0.001530\n",
      "137) jml_mean_charge_204            0.001525\n",
      "138) jml_mean_charge_232            0.001514\n",
      "139) jml_mean_charge_230            0.001513\n",
      "140) jml_mean_charge_206            0.001513\n",
      "141) jml_mean_charge_219            0.001506\n",
      "142) jml_mean_charge_215            0.001504\n",
      "143) jml_mean_charge_231            0.001503\n",
      "144) jml_mean_charge_255            0.001502\n",
      "145) jml_mean_charge_211            0.001500\n",
      "146) jml_mean_charge_235            0.001499\n",
      "147) jml_mean_charge_244            0.001494\n",
      "148) jml_mean_charge_228            0.001493\n",
      "149) jml_mean_charge_212            0.001492\n",
      "150) jml_mean_charge_209            0.001488\n",
      "151) jml_mean_charge_208            0.001481\n",
      "152) jml_mean_charge_243            0.001480\n",
      "153) jml_mean_charge_218            0.001479\n",
      "154) jml_mean_charge_261            0.001479\n",
      "155) jml_mean_charge_220            0.001476\n",
      "156) jml_mean_charge_252            0.001473\n",
      "157) jml_mean_charge_213            0.001465\n",
      "158) jml_mean_charge_205            0.001460\n",
      "159) jml_mean_charge_210            0.001459\n",
      "160) jml_mean_charge_250            0.001458\n",
      "161) jml_mean_charge_237            0.001452\n",
      "162) jml_mean_charge_216            0.001450\n",
      "163) jml_mean_charge_236            0.001449\n",
      "164) jml_mean_charge_240            0.001449\n",
      "165) jml_mean_charge_253            0.001448\n",
      "166) jml_mean_charge_238            0.001443\n",
      "167) jml_mean_charge_207            0.001440\n",
      "168) jml_mean_charge_214            0.001439\n",
      "169) jml_mean_charge_254            0.001433\n",
      "170) jml_mean_charge_265            0.001432\n",
      "171) jml_mean_charge_257            0.001432\n",
      "172) jml_mean_charge_239            0.001428\n",
      "173) jml_mean_charge_262            0.001427\n",
      "174) jml_mean_charge_256            0.001424\n",
      "175) jml_mean_charge_264            0.001423\n",
      "176) jml_mean_charge_266            0.001419\n",
      "177) jml_mean_charge_247            0.001419\n",
      "178) jml_mean_charge_270            0.001418\n",
      "179) jml_mean_charge_260            0.001410\n",
      "180) jml_mean_charge_251            0.001409\n",
      "181) jml_mean_charge_269            0.001406\n",
      "182) jml_mean_charge_241            0.001403\n",
      "183) jml_mean_charge_249            0.001399\n",
      "184) jml_mean_charge_259            0.001398\n",
      "185) jml_mean_charge_268            0.001398\n",
      "186) jml_mean_charge_267            0.001389\n",
      "187) jml_mean_charge_245            0.001384\n",
      "188) jml_mean_charge_242            0.001380\n",
      "189) jml_mean_charge_248            0.001368\n",
      "190) jml_mean_charge_263            0.001360\n",
      "191) jml_mean_charge_246            0.001359\n",
      "192) jml_mean_charge_258            0.001358\n",
      "193) jml_mean_charge_271            0.001323\n",
      "194) jml_mean_charge_272            0.001304\n",
      "195) jml_mean_charge_273            0.001287\n",
      "196) jml_mean_charge_274            0.001276\n",
      "197) jml_mean_charge_285            0.001275\n",
      "198) jml_mean_charge_277            0.001253\n",
      "199) jml_mean_charge_275            0.001251\n",
      "200) jml_mean_charge_279            0.001238\n",
      "201) jml_mean_charge_276            0.001232\n",
      "202) jml_mean_charge_288            0.001227\n",
      "203) jml_mean_charge_281            0.001222\n",
      "204) jml_mean_charge_278            0.001212\n",
      "205) jml_mean_charge_287            0.001211\n",
      "206) jml_mean_charge_284            0.001205\n",
      "207) jml_mean_charge_289            0.001202\n",
      "208) jml_mean_charge_280            0.001200\n",
      "209) jml_mean_charge_283            0.001191\n",
      "210) jml_mean_charge_286            0.001190\n",
      "211) jml_mean_charge_290            0.001174\n",
      "212) jml_mean_charge_282            0.001169\n",
      "213) jml_mean_charge_292            0.001168\n",
      "214) jml_mean_charge_294            0.001153\n",
      "215) jml_mean_charge_293            0.001131\n",
      "216) jml_mean_charge_291            0.001130\n",
      "217) jml_mean_charge_297            0.001104\n",
      "218) jml_mean_charge_295            0.001099\n",
      "219) jml_mean_charge_296            0.001097\n",
      "220) jml_mean_charge_298            0.001094\n",
      "221) jml_mean_charge_300            0.001087\n",
      "222) jml_mean_charge_304            0.001080\n",
      "223) jml_mean_charge_299            0.001073\n",
      "224) jml_mean_charge_302            0.001070\n",
      "225) jml_mean_charge_303            0.001063\n",
      "226) jml_mean_charge_301            0.001020\n",
      "227) jml_mean_charge_305            0.001011\n",
      "228) jml_mean_charge_309            0.000997\n",
      "229) jml_mean_charge_306            0.000995\n",
      "230) jml_mean_charge_308            0.000984\n",
      "231) jml_mean_charge_307            0.000983\n",
      "232) jml_mean_charge_311            0.000953\n",
      "233) jml_mean_charge_310            0.000931\n",
      "234) jml_mean_charge_312            0.000909\n",
      "235) jml_mean_charge_315            0.000886\n",
      "236) jml_mean_charge_313            0.000884\n",
      "237) jml_mean_charge_317            0.000840\n",
      "238) jml_mean_charge_314            0.000836\n",
      "239) jml_mean_charge_316            0.000834\n",
      "240) jml_mean_charge_318            0.000830\n",
      "241) jml_mean_charge_319            0.000793\n",
      "242) jml_mean_charge_321            0.000774\n",
      "243) jml_mean_charge_320            0.000761\n",
      "244) jml_mean_charge_324            0.000748\n",
      "245) jml_mean_charge_323            0.000728\n",
      "246) jml_mean_charge_325            0.000707\n",
      "247) jml_mean_charge_322            0.000698\n",
      "248) jml_mean_charge_327            0.000673\n",
      "249) jml_mean_charge_326            0.000667\n",
      "250) jml_mean_charge_328            0.000663\n",
      "251) jml_mean_charge_329            0.000620\n",
      "252) jml_mean_charge_330            0.000618\n",
      "253) jml_mean_charge_331            0.000613\n",
      "254) jml_mean_charge_332            0.000597\n",
      "255) jml_mean_charge_333            0.000595\n",
      "256) jml_mean_charge_336            0.000573\n",
      "257) jml_mean_charge_339            0.000563\n",
      "258) jml_mean_charge_337            0.000562\n",
      "259) jml_mean_charge_335            0.000562\n",
      "260) jml_mean_charge_338            0.000558\n",
      "261) jml_mean_charge_334            0.000557\n",
      "262) jml_mean_charge_342            0.000554\n",
      "263) jml_mean_charge_341            0.000541\n",
      "264) jml_mean_charge_340            0.000533\n",
      "265) jml_mean_charge_346            0.000532\n",
      "266) jml_mean_charge_345            0.000526\n",
      "267) jml_mean_charge_343            0.000518\n",
      "268) jml_mean_charge_344            0.000485\n",
      "269) jml_mean_charge_347            0.000484\n",
      "270) jml_mean_charge_349            0.000475\n",
      "271) jml_mean_charge_348            0.000467\n",
      "272) jml_mean_charge_350            0.000461\n",
      "273) jml_mean_charge_351            0.000459\n",
      "274) jml_mean_charge_352            0.000450\n",
      "275) jml_mean_charge_353            0.000445\n",
      "276) jml_mean_charge_365            0.000421\n",
      "277) jml_mean_charge_374            0.000421\n",
      "278) jml_mean_charge_372            0.000420\n",
      "279) jml_mean_charge_354            0.000420\n",
      "280) jml_mean_charge_356            0.000418\n",
      "281) jml_mean_charge_366            0.000418\n",
      "282) jml_mean_charge_373            0.000416\n",
      "283) jml_mean_charge_369            0.000415\n",
      "284) jml_mean_charge_368            0.000412\n",
      "285) jml_mean_charge_371            0.000411\n",
      "286) jml_mean_charge_370            0.000410\n",
      "287) jml_mean_charge_364            0.000409\n",
      "288) jml_mean_charge_367            0.000407\n",
      "289) jml_mean_charge_376            0.000402\n",
      "290) jml_mean_charge_355            0.000400\n",
      "291) jml_mean_charge_378            0.000400\n",
      "292) jml_mean_charge_375            0.000399\n",
      "293) jml_mean_charge_377            0.000397\n",
      "294) jml_mean_charge_360            0.000387\n",
      "295) jml_mean_charge_358            0.000387\n",
      "296) jml_mean_charge_359            0.000379\n",
      "297) jml_mean_charge_357            0.000374\n",
      "298) jml_mean_charge_363            0.000366\n",
      "299) jml_mean_charge_361            0.000359\n",
      "300) jml_mean_charge_362            0.000358\n"
     ]
    }
   ],
   "source": [
    "from sklearn.ensemble import RandomForestClassifier\n",
    "\n",
    "X_mic = df_mic.values\n",
    "\n",
    "label_mic = df_mic.columns\n",
    "\n",
    "forest = RandomForestClassifier(n_estimators=10000, random_state=0, n_jobs=-1)\n",
    "forest.fit(X_mic,y)\n",
    "\n",
    "importances = forest.feature_importances_\n",
    "indices = np.argsort(importances)[::-1]\n",
    "for f in range(X_mic.shape[1]):\n",
    "    print(\"%2d) %-*s %f\" % (f + 1, 30, label_mic[indices[f]], importances[indices[f]]))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "id": "4216a777",
   "metadata": {},
   "outputs": [],
   "source": [
    "dist1 = []\n",
    "for i in range(X_mic.shape[1]):\n",
    "    dist1.append(label_mic[indices[i]])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "id": "779be075",
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['structural complexity per cell',\n",
       " 'spacegroup_num',\n",
       " 'vpa',\n",
       " 'minimum neighbor distance variation',\n",
       " 'jml_pack_frac',\n",
       " 'jml_density',\n",
       " 'avg ionic char',\n",
       " 'jml_oq_enp',\n",
       " 'jml_mol_vol_divi_polzbl',\n",
       " 'jml_mp_divi_first_ion_en',\n",
       " 'jml_voro_coord_divi_polzbl',\n",
       " 'jml_C-6',\n",
       " 'jml_C-1',\n",
       " 'jml_bp_mult_mp',\n",
       " 'jml_atom_rad_divi_polzbl',\n",
       " 'jml_jv_enp',\n",
       " 'jml_atom_mass_divi_polzbl',\n",
       " 'jml_bp_divi_first_ion_en',\n",
       " 'jml_hfus_divi_mp',\n",
       " 'jml_mean_charge_19',\n",
       " 'jml_voro_coord_divi_hfus',\n",
       " 'jml_first_ion_en_divi_hfus',\n",
       " 'jml_mol_vol_divi_hfus',\n",
       " 'jml_atom_rad_divi_hfus',\n",
       " 'jml_first_ion_en_divi_mp',\n",
       " 'jml_mol_vol_divi_therm_cond',\n",
       " 'jml_first_ion_en_divi_therm_cond',\n",
       " 'jml_voro_coord_divi_therm_cond',\n",
       " 'jml_elec_aff_subs_X',\n",
       " 'jml_hfus_divi_bp',\n",
       " 'jml_mp_divi_hfus',\n",
       " 'jml_hfus_divi_therm_cond',\n",
       " 'jml_first_ion_en_divi_bp',\n",
       " 'jml_X_subs_elec_aff',\n",
       " 'jml_atom_rad_divi_therm_cond',\n",
       " 'jml_first_ion_en_divi_polzbl',\n",
       " 'jml_hfus_add_voro_coord',\n",
       " 'jml_atom_mass_divi_hfus',\n",
       " 'jml_mol_vol_divi_bp',\n",
       " 'jml_hfus_subs_voro_coord',\n",
       " 'jml_therm_cond_divi_polzbl',\n",
       " 'jml_mol_vol_divi_mp',\n",
       " 'jml_voro_coord_subs_hfus',\n",
       " 'jml_mean_charge_16',\n",
       " 'jml_atom_rad_divi_mp',\n",
       " 'jml_atom_mass_divi_therm_cond',\n",
       " 'jml_elec_aff_add_voro_coord',\n",
       " 'jml_polzbl_divi_bp',\n",
       " 'jml_bp_divi_mol_vol',\n",
       " 'jml_mol_vol_divi_atom_rad',\n",
       " 'jml_mol_vol_divi_atom_mass',\n",
       " 'jml_mol_vol_mult_therm_cond',\n",
       " 'jml_voro_coord_divi_atom_rad',\n",
       " 'jml_voro_coord_divi_bp',\n",
       " 'jml_first_ion_en_divi_atom_mass',\n",
       " 'jml_voro_coord_divi_mp',\n",
       " 'jml_hfus_add_X',\n",
       " 'jml_first_ion_en_divi_atom_rad',\n",
       " 'jml_op_eg',\n",
       " 'jml_atom_rad_divi_bp',\n",
       " 'jml_mp_divi_atom_mass',\n",
       " 'jml_mop_eg',\n",
       " 'jml_bp_divi_therm_cond',\n",
       " 'jml_polzbl_divi_therm_cond',\n",
       " 'jml_voro_coord_divi_first_ion_en',\n",
       " 'jml_first_ion_en_divi_voro_coord',\n",
       " 'jml_voro_coord_subs_first_ion_en',\n",
       " 'jml_first_ion_en_subs_voro_coord',\n",
       " 'jml_mp_divi_therm_cond',\n",
       " 'jml_hfus_add_atom_rad',\n",
       " 'jml_mol_vol_add_voro_coord',\n",
       " 'jml_polzbl_divi_hfus',\n",
       " 'jml_first_ion_en_mult_X',\n",
       " 'jml_mol_vol_mult_voro_coord',\n",
       " 'jml_first_ion_en',\n",
       " 'jml_first_ion_en_add_X',\n",
       " 'jml_polzbl_add_voro_coord',\n",
       " 'jml_hfus_subs_polzbl',\n",
       " 'jml_polzbl_subs_hfus',\n",
       " 'jml_polzbl_add_mol_vol',\n",
       " 'jml_mean_charge_147',\n",
       " 'jml_mean_charge_149',\n",
       " 'jml_mean_charge_150',\n",
       " 'jml_mean_charge_157',\n",
       " 'jml_mean_charge_160',\n",
       " 'jml_mean_charge_161',\n",
       " 'jml_mean_charge_162',\n",
       " 'jml_mean_charge_164',\n",
       " 'jml_mean_charge_165',\n",
       " 'jml_mean_charge_166',\n",
       " 'jml_mean_charge_167',\n",
       " 'jml_mean_charge_168',\n",
       " 'jml_mean_charge_169',\n",
       " 'jml_mean_charge_171',\n",
       " 'jml_mean_charge_172',\n",
       " 'jml_mean_charge_173',\n",
       " 'jml_mean_charge_174',\n",
       " 'jml_mean_charge_175',\n",
       " 'jml_mean_charge_177',\n",
       " 'jml_mean_charge_178',\n",
       " 'jml_mean_charge_176',\n",
       " 'jml_mean_charge_180',\n",
       " 'jml_mean_charge_179',\n",
       " 'jml_mean_charge_181',\n",
       " 'jml_mean_charge_183',\n",
       " 'jml_mean_charge_182',\n",
       " 'jml_mean_charge_185',\n",
       " 'jml_mean_charge_186',\n",
       " 'jml_mean_charge_189',\n",
       " 'jml_mean_charge_187',\n",
       " 'jml_mean_charge_188',\n",
       " 'jml_mean_charge_190',\n",
       " 'jml_mean_charge_191',\n",
       " 'jml_mean_charge_192',\n",
       " 'jml_mean_charge_195',\n",
       " 'jml_mean_charge_197',\n",
       " 'jml_mean_charge_194',\n",
       " 'jml_mean_charge_193',\n",
       " 'jml_mean_charge_196',\n",
       " 'jml_mean_charge_199',\n",
       " 'jml_mean_charge_198',\n",
       " 'jml_mean_charge_224',\n",
       " 'jml_mean_charge_225',\n",
       " 'jml_mean_charge_223',\n",
       " 'jml_mean_charge_200',\n",
       " 'jml_mean_charge_226',\n",
       " 'jml_mean_charge_233',\n",
       " 'jml_mean_charge_221',\n",
       " 'jml_mean_charge_201',\n",
       " 'jml_mean_charge_203',\n",
       " 'jml_mean_charge_227',\n",
       " 'jml_mean_charge_234',\n",
       " 'jml_mean_charge_217',\n",
       " 'jml_mean_charge_202',\n",
       " 'jml_mean_charge_229',\n",
       " 'jml_mean_charge_222',\n",
       " 'jml_mean_charge_204',\n",
       " 'jml_mean_charge_232',\n",
       " 'jml_mean_charge_230',\n",
       " 'jml_mean_charge_206',\n",
       " 'jml_mean_charge_219',\n",
       " 'jml_mean_charge_215',\n",
       " 'jml_mean_charge_231',\n",
       " 'jml_mean_charge_255',\n",
       " 'jml_mean_charge_211',\n",
       " 'jml_mean_charge_235',\n",
       " 'jml_mean_charge_244',\n",
       " 'jml_mean_charge_228',\n",
       " 'jml_mean_charge_212',\n",
       " 'jml_mean_charge_209',\n",
       " 'jml_mean_charge_208',\n",
       " 'jml_mean_charge_243',\n",
       " 'jml_mean_charge_218',\n",
       " 'jml_mean_charge_261',\n",
       " 'jml_mean_charge_220',\n",
       " 'jml_mean_charge_252',\n",
       " 'jml_mean_charge_213',\n",
       " 'jml_mean_charge_205',\n",
       " 'jml_mean_charge_210',\n",
       " 'jml_mean_charge_250',\n",
       " 'jml_mean_charge_237',\n",
       " 'jml_mean_charge_216',\n",
       " 'jml_mean_charge_236',\n",
       " 'jml_mean_charge_240',\n",
       " 'jml_mean_charge_253',\n",
       " 'jml_mean_charge_238',\n",
       " 'jml_mean_charge_207',\n",
       " 'jml_mean_charge_214',\n",
       " 'jml_mean_charge_254',\n",
       " 'jml_mean_charge_265',\n",
       " 'jml_mean_charge_257',\n",
       " 'jml_mean_charge_239',\n",
       " 'jml_mean_charge_262',\n",
       " 'jml_mean_charge_256',\n",
       " 'jml_mean_charge_264',\n",
       " 'jml_mean_charge_266',\n",
       " 'jml_mean_charge_247',\n",
       " 'jml_mean_charge_270',\n",
       " 'jml_mean_charge_260',\n",
       " 'jml_mean_charge_251',\n",
       " 'jml_mean_charge_269',\n",
       " 'jml_mean_charge_241',\n",
       " 'jml_mean_charge_249',\n",
       " 'jml_mean_charge_259',\n",
       " 'jml_mean_charge_268',\n",
       " 'jml_mean_charge_267',\n",
       " 'jml_mean_charge_245',\n",
       " 'jml_mean_charge_242',\n",
       " 'jml_mean_charge_248',\n",
       " 'jml_mean_charge_263',\n",
       " 'jml_mean_charge_246',\n",
       " 'jml_mean_charge_258',\n",
       " 'jml_mean_charge_271',\n",
       " 'jml_mean_charge_272',\n",
       " 'jml_mean_charge_273',\n",
       " 'jml_mean_charge_274',\n",
       " 'jml_mean_charge_285',\n",
       " 'jml_mean_charge_277',\n",
       " 'jml_mean_charge_275',\n",
       " 'jml_mean_charge_279',\n",
       " 'jml_mean_charge_276',\n",
       " 'jml_mean_charge_288',\n",
       " 'jml_mean_charge_281',\n",
       " 'jml_mean_charge_278',\n",
       " 'jml_mean_charge_287',\n",
       " 'jml_mean_charge_284',\n",
       " 'jml_mean_charge_289',\n",
       " 'jml_mean_charge_280',\n",
       " 'jml_mean_charge_283',\n",
       " 'jml_mean_charge_286',\n",
       " 'jml_mean_charge_290',\n",
       " 'jml_mean_charge_282',\n",
       " 'jml_mean_charge_292',\n",
       " 'jml_mean_charge_294',\n",
       " 'jml_mean_charge_293',\n",
       " 'jml_mean_charge_291',\n",
       " 'jml_mean_charge_297',\n",
       " 'jml_mean_charge_295',\n",
       " 'jml_mean_charge_296',\n",
       " 'jml_mean_charge_298',\n",
       " 'jml_mean_charge_300',\n",
       " 'jml_mean_charge_304',\n",
       " 'jml_mean_charge_299',\n",
       " 'jml_mean_charge_302',\n",
       " 'jml_mean_charge_303',\n",
       " 'jml_mean_charge_301',\n",
       " 'jml_mean_charge_305',\n",
       " 'jml_mean_charge_309',\n",
       " 'jml_mean_charge_306',\n",
       " 'jml_mean_charge_308',\n",
       " 'jml_mean_charge_307',\n",
       " 'jml_mean_charge_311',\n",
       " 'jml_mean_charge_310',\n",
       " 'jml_mean_charge_312',\n",
       " 'jml_mean_charge_315',\n",
       " 'jml_mean_charge_313',\n",
       " 'jml_mean_charge_317',\n",
       " 'jml_mean_charge_314',\n",
       " 'jml_mean_charge_316',\n",
       " 'jml_mean_charge_318',\n",
       " 'jml_mean_charge_319',\n",
       " 'jml_mean_charge_321',\n",
       " 'jml_mean_charge_320',\n",
       " 'jml_mean_charge_324',\n",
       " 'jml_mean_charge_323',\n",
       " 'jml_mean_charge_325',\n",
       " 'jml_mean_charge_322',\n",
       " 'jml_mean_charge_327',\n",
       " 'jml_mean_charge_326',\n",
       " 'jml_mean_charge_328',\n",
       " 'jml_mean_charge_329',\n",
       " 'jml_mean_charge_330',\n",
       " 'jml_mean_charge_331',\n",
       " 'jml_mean_charge_332',\n",
       " 'jml_mean_charge_333',\n",
       " 'jml_mean_charge_336',\n",
       " 'jml_mean_charge_339',\n",
       " 'jml_mean_charge_337',\n",
       " 'jml_mean_charge_335',\n",
       " 'jml_mean_charge_338',\n",
       " 'jml_mean_charge_334',\n",
       " 'jml_mean_charge_342',\n",
       " 'jml_mean_charge_341',\n",
       " 'jml_mean_charge_340',\n",
       " 'jml_mean_charge_346',\n",
       " 'jml_mean_charge_345',\n",
       " 'jml_mean_charge_343',\n",
       " 'jml_mean_charge_344',\n",
       " 'jml_mean_charge_347',\n",
       " 'jml_mean_charge_349',\n",
       " 'jml_mean_charge_348',\n",
       " 'jml_mean_charge_350',\n",
       " 'jml_mean_charge_351',\n",
       " 'jml_mean_charge_352',\n",
       " 'jml_mean_charge_353',\n",
       " 'jml_mean_charge_365',\n",
       " 'jml_mean_charge_374',\n",
       " 'jml_mean_charge_372',\n",
       " 'jml_mean_charge_354',\n",
       " 'jml_mean_charge_356',\n",
       " 'jml_mean_charge_366',\n",
       " 'jml_mean_charge_373',\n",
       " 'jml_mean_charge_369',\n",
       " 'jml_mean_charge_368',\n",
       " 'jml_mean_charge_371',\n",
       " 'jml_mean_charge_370',\n",
       " 'jml_mean_charge_364',\n",
       " 'jml_mean_charge_367',\n",
       " 'jml_mean_charge_376',\n",
       " 'jml_mean_charge_355',\n",
       " 'jml_mean_charge_378',\n",
       " 'jml_mean_charge_375',\n",
       " 'jml_mean_charge_377',\n",
       " 'jml_mean_charge_360',\n",
       " 'jml_mean_charge_358',\n",
       " 'jml_mean_charge_359',\n",
       " 'jml_mean_charge_357',\n",
       " 'jml_mean_charge_363',\n",
       " 'jml_mean_charge_361',\n",
       " 'jml_mean_charge_362']"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "dist1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "id": "65f919db",
   "metadata": {},
   "outputs": [],
   "source": [
    "df_mic_impor = df_mic[dist1]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "id": "d030f3c7",
   "metadata": {},
   "outputs": [],
   "source": [
    "X_mic_impor = df_mic_impor.values"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 46,
   "id": "72ac3e41",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "(0.7367483074472322, 0.8010471204188482) 2\n",
      "(0.7793409000398248, 0.7958115183246073) 3\n",
      "(0.813878932696137, 0.8237347294938918) 4\n",
      "(0.8046594982078853, 0.8342059336823735) 5\n",
      "(0.7896654719235364, 0.8307155322862129) 6\n",
      "(0.8244524093986461, 0.8446771378708552) 7\n",
      "(0.8593588211867781, 0.8586387434554974) 8\n",
      "(0.8692951015531659, 0.8586387434554974) 9\n",
      "(0.8550378335324572, 0.849912739965096) 10\n",
      "(0.8749701314217442, 0.8691099476439791) 11\n",
      "(0.8575069693349263, 0.8726003490401396) 12\n",
      "(0.8613500597371566, 0.8621291448516579) 13\n",
      "(0.8701115093588212, 0.8726003490401396) 14\n",
      "(0.8685981680605337, 0.8673647469458988) 15\n",
      "(0.8695539625647152, 0.849912739965096) 16\n",
      "(0.8649143767423338, 0.8621291448516579) 17\n",
      "(0.8716049382716049, 0.8638743455497382) 18\n",
      "(0.8710673038630029, 0.8586387434554974) 19\n",
      "(0.8773596176821984, 0.8656195462478184) 20\n",
      "(0.8901831939466348, 0.8603839441535777) 21\n",
      "(0.8734966148944643, 0.8621291448516579) 22\n",
      "(0.8750298685782557, 0.8586387434554974) 23\n",
      "(0.8707088809239347, 0.8621291448516579) 24\n",
      "(0.8772202309836717, 0.8586387434554974) 25\n",
      "(0.8719434488251693, 0.8603839441535777) 26\n",
      "(0.8823178016726403, 0.8691099476439791) 27\n",
      "(0.8697929111907605, 0.8638743455497382) 28\n",
      "(0.8799880525686977, 0.8551483420593369) 29\n",
      "(0.8727797690163281, 0.8534031413612565) 30\n",
      "(0.8813221823974513, 0.8656195462478184) 31\n",
      "(0.8779370768618081, 0.8586387434554974) 32\n",
      "(0.8656113102349662, 0.8481675392670157) 33\n",
      "(0.8728594185583433, 0.8551483420593369) 34\n",
      "(0.8743130227001195, 0.8481675392670157) 35\n",
      "(0.8792911190760653, 0.8516579406631762) 36\n",
      "(0.8733771405814417, 0.8481675392670157) 37\n",
      "(0.8752489048187972, 0.8568935427574171) 38\n",
      "(0.8706889685384309, 0.8534031413612565) 39\n",
      "(0.8792911190760652, 0.8603839441535777) 40\n",
      "(0.8781561131023498, 0.8534031413612565) 41\n",
      "(0.8791716447630427, 0.8568935427574171) 42\n",
      "(0.8736160892074871, 0.849912739965096) 43\n",
      "(0.8726802070888093, 0.8568935427574171) 44\n",
      "(0.8704898446833931, 0.8621291448516579) 45\n",
      "(0.8732576662684189, 0.8534031413612565) 46\n",
      "(0.877021107128634, 0.8551483420593369) 47\n",
      "(0.8736559139784945, 0.8464223385689355) 48\n",
      "(0.8751294305057745, 0.8429319371727748) 49\n"
     ]
    }
   ],
   "source": [
    "best(X_mic_impor,y)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "id": "aadb6358",
   "metadata": {},
   "outputs": [],
   "source": [
    "X_21 = df_mic_impor.iloc[:,0:21].values"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 41,
   "id": "e4a16cab",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(2863,)"
      ]
     },
     "execution_count": 41,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "y.shape"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 43,
   "id": "141f0018",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "0.8901831939466348\n"
     ]
    }
   ],
   "source": [
    "X_train, X_test, y_train, y_test = train_test_split(X_21, y, test_size = 0.2, random_state=0)\n",
    "gbdt = GradientBoostingClassifier(learning_rate=0.1,n_estimators=290,max_depth=8, min_samples_split =7,random_state=0)\n",
    "gbdt.fit(X_train,y_train)\n",
    "\n",
    "y_predprob = gbdt.predict_proba(X_test)[:,1]\n",
    "print(metrics.roc_auc_score(y_test, y_predprob))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 44,
   "id": "3d083940",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": 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\n",
      "text/plain": [
       "<Figure size 720x720 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "fpr,tpr,threshold=metrics.roc_curve(y_test,y_predprob)\n",
    "\n",
    "roc_auc=metrics.auc(fpr,tpr)\n",
    "\n",
    "import matplotlib.pyplot as plt\n",
    "plt.figure(figsize=(10,10))\n",
    "plt.plot(fpr, tpr, color='darkorange',\n",
    "lw=2, label='ROC curve (area = %0.2f)' % roc_auc) ###假正率为横坐标，真正率为纵坐标做曲线\n",
    "plt.plot([0, 1], [0, 1], color='navy', lw=2, linestyle='--')\n",
    "plt.xlim([0.0, 1.0])\n",
    "plt.ylim([0.0, 1.05])\n",
    "plt.xlabel('False Positive Rate')\n",
    "plt.ylabel('True Positive Rate')\n",
    "plt.title('Receiver operating characteristic GBDT')\n",
    "plt.legend(loc=\"lower right\")\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 140,
   "id": "626201d0",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "C:\\Users\\admin\\anaconda3\\lib\\site-packages\\scipy\\stats\\stats.py:3913: PearsonRConstantInputWarning: An input array is constant; the correlation coefficent is not defined.\n",
      "  warnings.warn(PearsonRConstantInputWarning())\n"
     ]
    }
   ],
   "source": [
    "from scipy.stats import pearsonr\n",
    "\n",
    "selector2 = SelectKBest(lambda X, Y: np.array(list(map(lambda x: pearsonr(x, Y)[0], X.T))).T, k=300)\n",
    "X_pear = selector2.fit(df_x , y)\n",
    "\n",
    "name_pear = selector2.get_feature_names_out()\n",
    "\n",
    "df_pear = df_x[name_pear]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 141,
   "id": "5df4a808",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>jml_bp_mult_atom_rad</th>\n",
       "      <th>jml_hfus_add_bp</th>\n",
       "      <th>jml_mol_vol_add_bp</th>\n",
       "      <th>jml_C-8</th>\n",
       "      <th>jml_C-7</th>\n",
       "      <th>jml_C-6</th>\n",
       "      <th>jml_C-2</th>\n",
       "      <th>jml_C-1</th>\n",
       "      <th>jml_C-0</th>\n",
       "      <th>jml_mp_subs_elec_aff</th>\n",
       "      <th>...</th>\n",
       "      <th>density</th>\n",
       "      <th>mean ordering parameter shell 1</th>\n",
       "      <th>mean ordering parameter shell 2</th>\n",
       "      <th>mean ordering parameter shell 3</th>\n",
       "      <th>structural complexity per atom</th>\n",
       "      <th>crystal_system_int</th>\n",
       "      <th>transition metal fraction</th>\n",
       "      <th>max ionic char</th>\n",
       "      <th>avg ionic char</th>\n",
       "      <th>gap_AO</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>2049.453333</td>\n",
       "      <td>1310.884233</td>\n",
       "      <td>1327.130000</td>\n",
       "      <td>41.733333</td>\n",
       "      <td>65.366667</td>\n",
       "      <td>50.633333</td>\n",
       "      <td>49.533333</td>\n",
       "      <td>50.633333</td>\n",
       "      <td>67.633333</td>\n",
       "      <td>737.264000</td>\n",
       "      <td>...</td>\n",
       "      <td>4.945340</td>\n",
       "      <td>0.456030</td>\n",
       "      <td>0.165633</td>\n",
       "      <td>0.027349</td>\n",
       "      <td>1.378783</td>\n",
       "      <td>4</td>\n",
       "      <td>0.285714</td>\n",
       "      <td>0.209607</td>\n",
       "      <td>0.038059</td>\n",
       "      <td>0.063676</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>2522.626667</td>\n",
       "      <td>1782.214733</td>\n",
       "      <td>1797.296667</td>\n",
       "      <td>49.366667</td>\n",
       "      <td>96.433333</td>\n",
       "      <td>53.500000</td>\n",
       "      <td>53.566667</td>\n",
       "      <td>53.500000</td>\n",
       "      <td>96.033333</td>\n",
       "      <td>990.213000</td>\n",
       "      <td>...</td>\n",
       "      <td>3.833648</td>\n",
       "      <td>0.756102</td>\n",
       "      <td>0.431629</td>\n",
       "      <td>0.159981</td>\n",
       "      <td>2.821928</td>\n",
       "      <td>4</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.792998</td>\n",
       "      <td>0.142625</td>\n",
       "      <td>0.000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>2203.761333</td>\n",
       "      <td>1645.883077</td>\n",
       "      <td>1656.126667</td>\n",
       "      <td>62.200000</td>\n",
       "      <td>145.766667</td>\n",
       "      <td>64.166667</td>\n",
       "      <td>62.200000</td>\n",
       "      <td>64.166667</td>\n",
       "      <td>145.766667</td>\n",
       "      <td>979.384667</td>\n",
       "      <td>...</td>\n",
       "      <td>3.101543</td>\n",
       "      <td>0.597112</td>\n",
       "      <td>0.321412</td>\n",
       "      <td>0.204273</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>5</td>\n",
       "      <td>0.125000</td>\n",
       "      <td>0.820234</td>\n",
       "      <td>0.142420</td>\n",
       "      <td>0.000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>2354.261333</td>\n",
       "      <td>1706.887783</td>\n",
       "      <td>1718.740000</td>\n",
       "      <td>56.200000</td>\n",
       "      <td>111.400000</td>\n",
       "      <td>56.933333</td>\n",
       "      <td>56.200000</td>\n",
       "      <td>56.933333</td>\n",
       "      <td>111.400000</td>\n",
       "      <td>1056.158000</td>\n",
       "      <td>...</td>\n",
       "      <td>2.175750</td>\n",
       "      <td>0.655228</td>\n",
       "      <td>0.475803</td>\n",
       "      <td>0.228999</td>\n",
       "      <td>2.128085</td>\n",
       "      <td>2</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.917619</td>\n",
       "      <td>0.214967</td>\n",
       "      <td>0.209862</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>3351.411333</td>\n",
       "      <td>2367.576783</td>\n",
       "      <td>2382.846667</td>\n",
       "      <td>78.300000</td>\n",
       "      <td>203.433333</td>\n",
       "      <td>92.333333</td>\n",
       "      <td>78.300000</td>\n",
       "      <td>92.333333</td>\n",
       "      <td>203.433333</td>\n",
       "      <td>1297.392333</td>\n",
       "      <td>...</td>\n",
       "      <td>2.574819</td>\n",
       "      <td>0.725754</td>\n",
       "      <td>0.520593</td>\n",
       "      <td>0.256700</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>6</td>\n",
       "      <td>0.000000</td>\n",
       "      <td>0.792998</td>\n",
       "      <td>0.178436</td>\n",
       "      <td>0.000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2858</th>\n",
       "      <td>1706.496250</td>\n",
       "      <td>1231.100713</td>\n",
       "      <td>1243.225000</td>\n",
       "      <td>44.300000</td>\n",
       "      <td>82.800000</td>\n",
       "      <td>45.800000</td>\n",
       "      <td>43.175000</td>\n",
       "      <td>45.800000</td>\n",
       "      <td>83.500000</td>\n",
       "      <td>591.894250</td>\n",
       "      <td>...</td>\n",
       "      <td>3.363133</td>\n",
       "      <td>0.531845</td>\n",
       "      <td>0.251025</td>\n",
       "      <td>0.111117</td>\n",
       "      <td>3.584963</td>\n",
       "      <td>7</td>\n",
       "      <td>0.250000</td>\n",
       "      <td>0.894601</td>\n",
       "      <td>0.162920</td>\n",
       "      <td>0.000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2859</th>\n",
       "      <td>2434.392500</td>\n",
       "      <td>1781.624513</td>\n",
       "      <td>1793.902500</td>\n",
       "      <td>47.275000</td>\n",
       "      <td>157.700000</td>\n",
       "      <td>50.300000</td>\n",
       "      <td>51.575000</td>\n",
       "      <td>50.300000</td>\n",
       "      <td>149.850000</td>\n",
       "      <td>747.115500</td>\n",
       "      <td>...</td>\n",
       "      <td>3.811793</td>\n",
       "      <td>0.919347</td>\n",
       "      <td>0.610157</td>\n",
       "      <td>0.401045</td>\n",
       "      <td>4.000000</td>\n",
       "      <td>7</td>\n",
       "      <td>0.062500</td>\n",
       "      <td>0.779730</td>\n",
       "      <td>0.169250</td>\n",
       "      <td>0.000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2860</th>\n",
       "      <td>2448.367500</td>\n",
       "      <td>2285.136075</td>\n",
       "      <td>2295.490000</td>\n",
       "      <td>40.825000</td>\n",
       "      <td>342.475000</td>\n",
       "      <td>92.400000</td>\n",
       "      <td>42.225000</td>\n",
       "      <td>92.400000</td>\n",
       "      <td>341.875000</td>\n",
       "      <td>1528.947000</td>\n",
       "      <td>...</td>\n",
       "      <td>2.925293</td>\n",
       "      <td>0.737781</td>\n",
       "      <td>0.516057</td>\n",
       "      <td>0.297199</td>\n",
       "      <td>3.000000</td>\n",
       "      <td>5</td>\n",
       "      <td>0.125000</td>\n",
       "      <td>0.779730</td>\n",
       "      <td>0.123519</td>\n",
       "      <td>0.000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2861</th>\n",
       "      <td>1706.496250</td>\n",
       "      <td>1231.100713</td>\n",
       "      <td>1243.225000</td>\n",
       "      <td>44.300000</td>\n",
       "      <td>82.800000</td>\n",
       "      <td>45.800000</td>\n",
       "      <td>43.175000</td>\n",
       "      <td>45.800000</td>\n",
       "      <td>83.500000</td>\n",
       "      <td>591.894250</td>\n",
       "      <td>...</td>\n",
       "      <td>3.505517</td>\n",
       "      <td>0.599136</td>\n",
       "      <td>0.256130</td>\n",
       "      <td>0.117330</td>\n",
       "      <td>3.238901</td>\n",
       "      <td>6</td>\n",
       "      <td>0.230769</td>\n",
       "      <td>0.894601</td>\n",
       "      <td>0.178934</td>\n",
       "      <td>0.000000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2862</th>\n",
       "      <td>1494.745000</td>\n",
       "      <td>1103.124283</td>\n",
       "      <td>1114.960000</td>\n",
       "      <td>54.066667</td>\n",
       "      <td>106.466667</td>\n",
       "      <td>56.066667</td>\n",
       "      <td>52.566667</td>\n",
       "      <td>56.066667</td>\n",
       "      <td>107.400000</td>\n",
       "      <td>638.161000</td>\n",
       "      <td>...</td>\n",
       "      <td>4.390189</td>\n",
       "      <td>0.469873</td>\n",
       "      <td>0.110820</td>\n",
       "      <td>0.068624</td>\n",
       "      <td>2.751629</td>\n",
       "      <td>5</td>\n",
       "      <td>0.333333</td>\n",
       "      <td>0.685139</td>\n",
       "      <td>0.130658</td>\n",
       "      <td>0.000000</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>2863 rows × 300 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "      jml_bp_mult_atom_rad  jml_hfus_add_bp  jml_mol_vol_add_bp    jml_C-8  \\\n",
       "0              2049.453333      1310.884233         1327.130000  41.733333   \n",
       "1              2522.626667      1782.214733         1797.296667  49.366667   \n",
       "2              2203.761333      1645.883077         1656.126667  62.200000   \n",
       "3              2354.261333      1706.887783         1718.740000  56.200000   \n",
       "4              3351.411333      2367.576783         2382.846667  78.300000   \n",
       "...                    ...              ...                 ...        ...   \n",
       "2858           1706.496250      1231.100713         1243.225000  44.300000   \n",
       "2859           2434.392500      1781.624513         1793.902500  47.275000   \n",
       "2860           2448.367500      2285.136075         2295.490000  40.825000   \n",
       "2861           1706.496250      1231.100713         1243.225000  44.300000   \n",
       "2862           1494.745000      1103.124283         1114.960000  54.066667   \n",
       "\n",
       "         jml_C-7    jml_C-6    jml_C-2    jml_C-1     jml_C-0  \\\n",
       "0      65.366667  50.633333  49.533333  50.633333   67.633333   \n",
       "1      96.433333  53.500000  53.566667  53.500000   96.033333   \n",
       "2     145.766667  64.166667  62.200000  64.166667  145.766667   \n",
       "3     111.400000  56.933333  56.200000  56.933333  111.400000   \n",
       "4     203.433333  92.333333  78.300000  92.333333  203.433333   \n",
       "...          ...        ...        ...        ...         ...   \n",
       "2858   82.800000  45.800000  43.175000  45.800000   83.500000   \n",
       "2859  157.700000  50.300000  51.575000  50.300000  149.850000   \n",
       "2860  342.475000  92.400000  42.225000  92.400000  341.875000   \n",
       "2861   82.800000  45.800000  43.175000  45.800000   83.500000   \n",
       "2862  106.466667  56.066667  52.566667  56.066667  107.400000   \n",
       "\n",
       "      jml_mp_subs_elec_aff  ...   density  mean ordering parameter shell 1  \\\n",
       "0               737.264000  ...  4.945340                         0.456030   \n",
       "1               990.213000  ...  3.833648                         0.756102   \n",
       "2               979.384667  ...  3.101543                         0.597112   \n",
       "3              1056.158000  ...  2.175750                         0.655228   \n",
       "4              1297.392333  ...  2.574819                         0.725754   \n",
       "...                    ...  ...       ...                              ...   \n",
       "2858            591.894250  ...  3.363133                         0.531845   \n",
       "2859            747.115500  ...  3.811793                         0.919347   \n",
       "2860           1528.947000  ...  2.925293                         0.737781   \n",
       "2861            591.894250  ...  3.505517                         0.599136   \n",
       "2862            638.161000  ...  4.390189                         0.469873   \n",
       "\n",
       "      mean ordering parameter shell 2  mean ordering parameter shell 3  \\\n",
       "0                            0.165633                         0.027349   \n",
       "1                            0.431629                         0.159981   \n",
       "2                            0.321412                         0.204273   \n",
       "3                            0.475803                         0.228999   \n",
       "4                            0.520593                         0.256700   \n",
       "...                               ...                              ...   \n",
       "2858                         0.251025                         0.111117   \n",
       "2859                         0.610157                         0.401045   \n",
       "2860                         0.516057                         0.297199   \n",
       "2861                         0.256130                         0.117330   \n",
       "2862                         0.110820                         0.068624   \n",
       "\n",
       "      structural complexity per atom  crystal_system_int  \\\n",
       "0                           1.378783                   4   \n",
       "1                           2.821928                   4   \n",
       "2                           3.000000                   5   \n",
       "3                           2.128085                   2   \n",
       "4                           3.000000                   6   \n",
       "...                              ...                 ...   \n",
       "2858                        3.584963                   7   \n",
       "2859                        4.000000                   7   \n",
       "2860                        3.000000                   5   \n",
       "2861                        3.238901                   6   \n",
       "2862                        2.751629                   5   \n",
       "\n",
       "      transition metal fraction  max ionic char  avg ionic char    gap_AO  \n",
       "0                      0.285714        0.209607        0.038059  0.063676  \n",
       "1                      0.000000        0.792998        0.142625  0.000000  \n",
       "2                      0.125000        0.820234        0.142420  0.000000  \n",
       "3                      0.000000        0.917619        0.214967  0.209862  \n",
       "4                      0.000000        0.792998        0.178436  0.000000  \n",
       "...                         ...             ...             ...       ...  \n",
       "2858                   0.250000        0.894601        0.162920  0.000000  \n",
       "2859                   0.062500        0.779730        0.169250  0.000000  \n",
       "2860                   0.125000        0.779730        0.123519  0.000000  \n",
       "2861                   0.230769        0.894601        0.178934  0.000000  \n",
       "2862                   0.333333        0.685139        0.130658  0.000000  \n",
       "\n",
       "[2863 rows x 300 columns]"
      ]
     },
     "execution_count": 141,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "df_pear"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 142,
   "id": "db554e97",
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      " 1) density                        0.013639\n",
      " 2) jml_vpa                        0.011153\n",
      " 3) mean ordering parameter shell 2 0.011051\n",
      " 4) crystal_system_int             0.010994\n",
      " 5) mean ordering parameter shell 3 0.010033\n",
      " 6) jml_mol_vol_divi_polzbl        0.009629\n",
      " 7) xrd_56                         0.009050\n",
      " 8) jml_voro_coord_divi_polzbl     0.008674\n",
      " 9) jml_voro_coord_divi_hfus       0.008656\n",
      "10) jml_first_ion_en_divi_hfus     0.008628\n",
      "11) jml_ndunfill                   0.008524\n",
      "12) jml_atom_rad_divi_polzbl       0.008482\n",
      "13) xrd_32                         0.008355\n",
      "14) mean ordering parameter shell 1 0.008299\n",
      "15) xrd_33                         0.008255\n",
      "16) jml_first_ion_en_divi_therm_cond 0.008249\n",
      "17) transition metal fraction      0.008141\n",
      "18) jml_mol_vol_divi_hfus          0.008032\n",
      "19) jml_atom_rad_divi_hfus         0.008026\n",
      "20) xrd_31                         0.007855\n",
      "21) xrd_55                         0.007829\n",
      "22) jml_atom_mass_divi_polzbl      0.007706\n",
      "23) avg ionic char                 0.007626\n",
      "24) jml_first_ion_en_divi_polzbl   0.007248\n",
      "25) jml_nn_59                      0.007234\n",
      "26) jml_nn_29                      0.007163\n",
      "27) jml_bp_divi_polzbl             0.007152\n",
      "28) xrd_57                         0.007128\n",
      "29) jml_X_subs_elec_aff            0.006863\n",
      "30) structural complexity per atom 0.006754\n",
      "31) jml_mp_divi_hfus               0.006727\n",
      "32) jml_polzbl_mult_mp             0.006679\n",
      "33) xrd_62                         0.006643\n",
      "34) jml_bp_mult_atom_mass          0.006510\n",
      "35) jml_atom_mass_divi_hfus        0.006413\n",
      "36) jml_nn_98                      0.006410\n",
      "37) xrd_54                         0.006338\n",
      "38) jml_nn_85                      0.006212\n",
      "39) xrd_63                         0.006209\n",
      "40) jml_polzbl_subs_mol_vol        0.006042\n",
      "41) jml_C-1                        0.006026\n",
      "42) jml_atom_rad_divi_bp           0.005972\n",
      "43) jml_C-6                        0.005911\n",
      "44) jml_nn_57                      0.005777\n",
      "45) jml_nn_100                     0.005745\n",
      "46) jml_nn_77                      0.005728\n",
      "47) jml_nn_88                      0.005725\n",
      "48) jml_nn_90                      0.005600\n",
      "49) jml_C-8                        0.005558\n",
      "50) jml_nn_60                      0.005508\n",
      "51) jml_nn_92                      0.005507\n",
      "52) jml_nn_95                      0.005485\n",
      "53) jml_nn_75                      0.005474\n",
      "54) jml_nn_58                      0.005459\n",
      "55) jml_hfus_mult_polzbl           0.005451\n",
      "56) max ionic char                 0.005435\n",
      "57) jml_nn_33                      0.005417\n",
      "58) jml_C-13                       0.005401\n",
      "59) jml_voro_coord_divi_atom_rad   0.005399\n",
      "60) jml_polzbl_divi_mol_vol        0.005386\n",
      "61) jml_nn_96                      0.005347\n",
      "62) jml_nn_91                      0.005331\n",
      "63) jml_mp_mult_atom_mass          0.005331\n",
      "64) jml_nn_66                      0.005316\n",
      "65) jml_nn_89                      0.005314\n",
      "66) jml_nn_28                      0.005309\n",
      "67) jml_nn_62                      0.005296\n",
      "68) jml_nn_63                      0.005280\n",
      "69) jml_nn_51                      0.005272\n",
      "70) jml_nn_73                      0.005259\n",
      "71) jml_nn_40                      0.005254\n",
      "72) jml_first_ion_en_add_voro_coord 0.005204\n",
      "73) jml_nn_94                      0.005200\n",
      "74) jml_nn_30                      0.005182\n",
      "75) jml_hfus_add_X                 0.005175\n",
      "76) jml_nn_31                      0.005159\n",
      "77) jml_nn_87                      0.005138\n",
      "78) jml_nn_45                      0.005099\n",
      "79) jml_nn_61                      0.005099\n",
      "80) jml_nn_78                      0.005084\n",
      "81) jml_mp_divi_first_ion_en       0.005071\n",
      "82) jml_first_ion_en_mult_X        0.005070\n",
      "83) jml_nn_79                      0.005065\n",
      "84) jml_nn_49                      0.005063\n",
      "85) jml_nn_68                      0.005045\n",
      "86) jml_nn_81                      0.005041\n",
      "87) jml_polzbl_mult_bp             0.004999\n",
      "88) jml_nn_50                      0.004985\n",
      "89) jml_C-2                        0.004978\n",
      "90) jml_nn_43                      0.004971\n",
      "91) jml_C-12                       0.004963\n",
      "92) jml_rdf_22                     0.004862\n",
      "93) jml_mp_mult_atom_rad           0.004856\n",
      "94) jml_nn_76                      0.004831\n",
      "95) jml_nn_65                      0.004793\n",
      "96) jml_nn_86                      0.004750\n",
      "97) jml_bp_mult_voro_coord         0.004733\n",
      "98) jml_bp_mult_atom_rad           0.004723\n",
      "99) jml_voro_coord_subs_mol_vol    0.004723\n",
      "100) jml_mp_mult_voro_coord         0.004709\n",
      "101) jml_nn_74                      0.004674\n",
      "102) jml_hfus_subs_atom_rad         0.004658\n",
      "103) jml_X_subs_atom_rad            0.004654\n",
      "104) jml_bp_subs_mp                 0.004647\n",
      "105) jml_X                          0.004634\n",
      "106) jml_nn_97                      0.004605\n",
      "107) jml_first_ion_en_subs_elec_aff 0.004598\n",
      "108) jml_KV                         0.004593\n",
      "109) jml_first_ion_en_subs_mol_vol  0.004540\n",
      "110) gap_AO                         0.004531\n",
      "111) jml_bp_mult_mp                 0.004514\n",
      "112) jml_C-14                       0.004499\n",
      "113) jml_nn_48                      0.004472\n",
      "114) jml_X_subs_hfus                0.004451\n",
      "115) jml_C-7                        0.004370\n",
      "116) jml_nn_22                      0.004353\n",
      "117) jml_C-0                        0.004350\n",
      "118) jml_rdf_20                     0.004345\n",
      "119) jml_nn_21                      0.004329\n",
      "120) jml_atom_rad_subs_mol_vol      0.004321\n",
      "121) jml_X_subs_mol_vol             0.004318\n",
      "122) jml_bp_divi_first_ion_en       0.004315\n",
      "123) jml_elec_aff_subs_mol_vol      0.004249\n",
      "124) jml_hfus_subs_mol_vol          0.004228\n",
      "125) jml_nn_20                      0.004142\n",
      "126) jml_bp_divi_mol_vol            0.003804\n",
      "127) jml_bp_mult_X                  0.003682\n",
      "128) jml_mp_divi_mol_vol            0.003676\n",
      "129) jml_hfus_mult_voro_coord       0.003627\n",
      "130) jml_mp_subs_therm_cond         0.003360\n",
      "131) jml_bp_subs_therm_cond         0.003272\n",
      "132) jml_mp_subs_atom_mass          0.003033\n",
      "133) jml_C-26                       0.003030\n",
      "134) jml_C-16                       0.003022\n",
      "135) jml_nn_19                      0.002934\n",
      "136) jml_bp_add_atom_mass           0.002910\n",
      "137) jml_mp_add_therm_cond          0.002872\n",
      "138) jml_mp_add_atom_mass           0.002799\n",
      "139) jml_bp_add_mp                  0.002783\n",
      "140) jml_bp_add_therm_cond          0.002716\n",
      "141) jml_bp_subs_atom_mass          0.002700\n",
      "142) jml_polzbl_add_mp              0.002660\n",
      "143) jml_bp_add_X                   0.002642\n",
      "144) jml_mol_vol_add_mp             0.002641\n",
      "145) jml_mp_subs_mol_vol            0.002641\n",
      "146) jml_bp_subs_polzbl             0.002633\n",
      "147) jml_hfus_add_bp                0.002620\n",
      "148) jml_first_ion_en_add_mp        0.002614\n",
      "149) jml_mp_subs_polzbl             0.002597\n",
      "150) jml_bp_add_atom_rad            0.002597\n",
      "151) jml_mp_add_voro_coord          0.002596\n",
      "152) jml_mp_subs_X                  0.002595\n",
      "153) jml_mp_subs_first_ion_en       0.002593\n",
      "154) jml_mp_subs_voro_coord         0.002590\n",
      "155) jml_first_ion_en_add_bp        0.002586\n",
      "156) jml_bp_subs_first_ion_en       0.002586\n",
      "157) jml_polzbl_add_bp              0.002581\n",
      "158) jml_hfus_add_mp                0.002580\n",
      "159) jml_mp_subs_atom_rad           0.002575\n",
      "160) jml_bp_subs_hfus               0.002570\n",
      "161) jml_bp_subs_X                  0.002569\n",
      "162) jml_mp_add_atom_rad            0.002568\n",
      "163) jml_mp_add_X                   0.002567\n",
      "164) jml_bp_subs_voro_coord         0.002566\n",
      "165) jml_bp_subs_mol_vol            0.002566\n",
      "166) jml_mol_vol_add_bp             0.002550\n",
      "167) jml_bp_subs_atom_rad           0.002549\n",
      "168) jml_mp                         0.002545\n",
      "169) jml_bp_subs_elec_aff           0.002543\n",
      "170) jml_mp_subs_hfus               0.002540\n",
      "171) jml_elec_aff_add_mp            0.002536\n",
      "172) jml_bp_add_voro_coord          0.002533\n",
      "173) jml_elec_aff_add_bp            0.002518\n",
      "174) jml_block                      0.002505\n",
      "175) jml_bp                         0.002504\n",
      "176) jml_mp_subs_elec_aff           0.002482\n",
      "177) jml_is_transition_metal        0.002226\n",
      "178) jml_adf2_108                   0.002054\n",
      "179) jml_nfvalence                  0.001830\n",
      "180) jml_adf2_110                   0.001638\n",
      "181) jml_adf2_90                    0.001584\n",
      "182) jml_adf2_107                   0.001581\n",
      "183) jml_adf2_115                   0.001516\n",
      "184) jml_adf2_89                    0.001512\n",
      "185) jml_adf2_88                    0.001504\n",
      "186) jml_adf2_106                   0.001492\n",
      "187) jml_adf2_105                   0.001487\n",
      "188) jml_adf2_91                    0.001439\n",
      "189) jml_adf2_103                   0.001413\n",
      "190) jml_adf2_101                   0.001372\n",
      "191) jml_adf2_92                    0.001365\n",
      "192) jml_adf2_104                   0.001358\n",
      "193) jml_adf2_114                   0.001341\n",
      "194) jml_adf2_113                   0.001340\n",
      "195) jml_adf2_112                   0.001337\n",
      "196) jml_adf2_111                   0.001332\n",
      "197) jml_adf2_87                    0.001298\n",
      "198) jml_adf2_94                    0.001272\n",
      "199) jml_adf2_102                   0.001248\n",
      "200) jml_adf2_93                    0.001240\n",
      "201) jml_adf2_95                    0.001166\n",
      "202) jml_adf2_99                    0.001161\n",
      "203) jml_adf2_85                    0.001144\n",
      "204) jml_adf2_122                   0.001137\n",
      "205) jml_adf2_116                   0.001130\n",
      "206) jml_adf2_86                    0.001119\n",
      "207) jml_adf2_96                    0.001110\n",
      "208) jml_adf2_118                   0.001102\n",
      "209) jml_adf2_84                    0.001080\n",
      "210) jml_adf2_117                   0.001072\n",
      "211) jml_adf2_77                    0.001059\n",
      "212) jml_adf2_59                    0.001048\n",
      "213) jml_adf2_97                    0.001036\n",
      "214) jml_adf2_100                   0.001025\n",
      "215) jml_adf2_170                   0.001019\n",
      "216) jml_adf2_98                    0.001001\n",
      "217) jml_adf2_165                   0.000988\n",
      "218) jml_adf2_121                   0.000975\n",
      "219) jml_adf2_71                    0.000953\n",
      "220) jml_adf2_83                    0.000949\n",
      "221) jml_adf2_124                   0.000938\n",
      "222) jml_adf2_146                   0.000906\n",
      "223) jml_adf2_129                   0.000905\n",
      "224) jml_adf2_123                   0.000899\n",
      "225) jml_adf2_148                   0.000891\n",
      "226) jml_adf2_79                    0.000889\n",
      "227) jml_adf2_126                   0.000887\n",
      "228) jml_adf2_127                   0.000886\n",
      "229) jml_adf2_169                   0.000884\n",
      "230) jml_adf2_78                    0.000881\n",
      "231) jml_adf2_69                    0.000880\n",
      "232) jml_adf2_80                    0.000879\n",
      "233) jml_adf2_128                   0.000878\n",
      "234) jml_adf2_82                    0.000877\n",
      "235) jml_adf2_81                    0.000876\n",
      "236) jml_adf2_140                   0.000872\n",
      "237) jml_adf2_145                   0.000857\n",
      "238) jml_adf2_75                    0.000856\n",
      "239) jml_adf2_131                   0.000854\n",
      "240) jml_adf2_147                   0.000853\n",
      "241) jml_adf2_73                    0.000818\n",
      "242) jml_adf2_137                   0.000818\n",
      "243) jml_adf2_138                   0.000800\n",
      "244) jml_adf2_132                   0.000794\n",
      "245) jml_adf2_130                   0.000792\n",
      "246) jml_adf2_136                   0.000786\n",
      "247) jml_adf2_52                    0.000766\n",
      "248) jml_adf2_76                    0.000762\n",
      "249) jml_adf2_164                   0.000758\n",
      "250) jml_adf2_166                   0.000745\n",
      "251) jml_adf2_58                    0.000731\n",
      "252) jml_adf2_61                    0.000730\n",
      "253) jml_adf2_72                    0.000729\n",
      "254) jml_adf2_37                    0.000729\n",
      "255) jml_adf2_53                    0.000725\n",
      "256) jml_adf2_70                    0.000718\n",
      "257) jml_adf2_141                   0.000717\n",
      "258) jml_adf2_47                    0.000716\n",
      "259) jml_adf2_50                    0.000715\n",
      "260) jml_adf2_143                   0.000713\n",
      "261) jml_adf2_62                    0.000712\n",
      "262) jml_adf2_46                    0.000708\n",
      "263) jml_adf2_133                   0.000703\n",
      "264) jml_adf2_134                   0.000699\n",
      "265) jml_adf2_49                    0.000693\n",
      "266) jml_adf2_45                    0.000680\n",
      "267) jml_adf2_43                    0.000668\n",
      "268) jml_adf2_54                    0.000660\n",
      "269) jml_adf2_63                    0.000660\n",
      "270) jml_adf2_161                   0.000659\n",
      "271) jml_adf2_36                    0.000656\n",
      "272) jml_adf2_57                    0.000643\n",
      "273) jml_adf2_64                    0.000643\n",
      "274) jml_adf2_74                    0.000641\n",
      "275) jml_adf2_142                   0.000634\n",
      "276) jml_adf2_38                    0.000631\n",
      "277) jml_adf2_163                   0.000620\n",
      "278) jml_adf2_68                    0.000610\n",
      "279) jml_adf2_167                   0.000606\n",
      "280) jml_adf2_44                    0.000589\n",
      "281) jml_adf2_55                    0.000585\n",
      "282) jml_adf2_48                    0.000574\n",
      "283) jml_adf2_65                    0.000570\n",
      "284) jml_adf2_51                    0.000567\n",
      "285) jml_adf2_66                    0.000566\n",
      "286) jml_adf2_56                    0.000549\n",
      "287) jml_adf2_41                    0.000538\n",
      "288) jml_adf2_67                    0.000529\n",
      "289) jml_adf2_40                    0.000508\n",
      "290) jml_adf2_33                    0.000506\n",
      "291) jml_adf2_23                    0.000503\n",
      "292) jml_adf2_22                    0.000486\n",
      "293) jml_adf2_39                    0.000485\n",
      "294) jml_adf2_42                    0.000463\n",
      "295) jml_adf2_26                    0.000449\n",
      "296) jml_adf2_25                    0.000435\n",
      "297) jml_adf2_29                    0.000430\n",
      "298) jml_adf2_28                    0.000413\n",
      "299) jml_adf2_24                    0.000395\n",
      "300) jml_adf2_27                    0.000365\n"
     ]
    }
   ],
   "source": [
    "X_pear = df_pear.values\n",
    "\n",
    "label_pear = df_pear.columns\n",
    "\n",
    "forest = RandomForestClassifier(n_estimators=10000, random_state=0, n_jobs=-1)\n",
    "forest.fit(X_pear,y)\n",
    "\n",
    "importances = forest.feature_importances_\n",
    "indices = np.argsort(importances)[::-1]\n",
    "for f in range(X_pear.shape[1]):\n",
    "    print(\"%2d) %-*s %f\" % (f + 1, 30, label_pear[indices[f]], importances[indices[f]]))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 150,
   "id": "ad652ebc",
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['density',\n",
       " 'jml_vpa',\n",
       " 'mean ordering parameter shell 2',\n",
       " 'crystal_system_int',\n",
       " 'mean ordering parameter shell 3',\n",
       " 'jml_mol_vol_divi_polzbl',\n",
       " 'xrd_56',\n",
       " 'jml_voro_coord_divi_polzbl',\n",
       " 'jml_voro_coord_divi_hfus',\n",
       " 'jml_first_ion_en_divi_hfus',\n",
       " 'jml_ndunfill',\n",
       " 'jml_atom_rad_divi_polzbl',\n",
       " 'xrd_32',\n",
       " 'mean ordering parameter shell 1',\n",
       " 'xrd_33',\n",
       " 'jml_first_ion_en_divi_therm_cond',\n",
       " 'transition metal fraction',\n",
       " 'jml_mol_vol_divi_hfus',\n",
       " 'jml_atom_rad_divi_hfus',\n",
       " 'xrd_31',\n",
       " 'xrd_55',\n",
       " 'jml_atom_mass_divi_polzbl',\n",
       " 'avg ionic char',\n",
       " 'jml_first_ion_en_divi_polzbl',\n",
       " 'jml_nn_59',\n",
       " 'jml_nn_29',\n",
       " 'jml_bp_divi_polzbl',\n",
       " 'xrd_57',\n",
       " 'jml_X_subs_elec_aff',\n",
       " 'structural complexity per atom',\n",
       " 'jml_mp_divi_hfus',\n",
       " 'jml_polzbl_mult_mp',\n",
       " 'xrd_62',\n",
       " 'jml_bp_mult_atom_mass',\n",
       " 'jml_atom_mass_divi_hfus',\n",
       " 'jml_nn_98',\n",
       " 'xrd_54',\n",
       " 'jml_nn_85',\n",
       " 'xrd_63',\n",
       " 'jml_polzbl_subs_mol_vol',\n",
       " 'jml_C-1',\n",
       " 'jml_atom_rad_divi_bp',\n",
       " 'jml_C-6',\n",
       " 'jml_nn_57',\n",
       " 'jml_nn_100',\n",
       " 'jml_nn_77',\n",
       " 'jml_nn_88',\n",
       " 'jml_nn_90',\n",
       " 'jml_C-8',\n",
       " 'jml_nn_60',\n",
       " 'jml_nn_92',\n",
       " 'jml_nn_95',\n",
       " 'jml_nn_75',\n",
       " 'jml_nn_58',\n",
       " 'jml_hfus_mult_polzbl',\n",
       " 'max ionic char',\n",
       " 'jml_nn_33',\n",
       " 'jml_C-13',\n",
       " 'jml_voro_coord_divi_atom_rad',\n",
       " 'jml_polzbl_divi_mol_vol',\n",
       " 'jml_nn_96',\n",
       " 'jml_nn_91',\n",
       " 'jml_mp_mult_atom_mass',\n",
       " 'jml_nn_66',\n",
       " 'jml_nn_89',\n",
       " 'jml_nn_28',\n",
       " 'jml_nn_62',\n",
       " 'jml_nn_63',\n",
       " 'jml_nn_51',\n",
       " 'jml_nn_73',\n",
       " 'jml_nn_40',\n",
       " 'jml_first_ion_en_add_voro_coord',\n",
       " 'jml_nn_94',\n",
       " 'jml_nn_30',\n",
       " 'jml_hfus_add_X',\n",
       " 'jml_nn_31',\n",
       " 'jml_nn_87',\n",
       " 'jml_nn_45',\n",
       " 'jml_nn_61',\n",
       " 'jml_nn_78',\n",
       " 'jml_mp_divi_first_ion_en',\n",
       " 'jml_first_ion_en_mult_X',\n",
       " 'jml_nn_79',\n",
       " 'jml_nn_49',\n",
       " 'jml_nn_68',\n",
       " 'jml_nn_81',\n",
       " 'jml_polzbl_mult_bp',\n",
       " 'jml_nn_50',\n",
       " 'jml_C-2',\n",
       " 'jml_nn_43',\n",
       " 'jml_C-12',\n",
       " 'jml_rdf_22',\n",
       " 'jml_mp_mult_atom_rad',\n",
       " 'jml_nn_76',\n",
       " 'jml_nn_65',\n",
       " 'jml_nn_86',\n",
       " 'jml_bp_mult_voro_coord',\n",
       " 'jml_bp_mult_atom_rad',\n",
       " 'jml_voro_coord_subs_mol_vol',\n",
       " 'jml_mp_mult_voro_coord',\n",
       " 'jml_nn_74',\n",
       " 'jml_hfus_subs_atom_rad',\n",
       " 'jml_X_subs_atom_rad',\n",
       " 'jml_bp_subs_mp',\n",
       " 'jml_X',\n",
       " 'jml_nn_97',\n",
       " 'jml_first_ion_en_subs_elec_aff',\n",
       " 'jml_KV',\n",
       " 'jml_first_ion_en_subs_mol_vol',\n",
       " 'gap_AO',\n",
       " 'jml_bp_mult_mp',\n",
       " 'jml_C-14',\n",
       " 'jml_nn_48',\n",
       " 'jml_X_subs_hfus',\n",
       " 'jml_C-7',\n",
       " 'jml_nn_22',\n",
       " 'jml_C-0',\n",
       " 'jml_rdf_20',\n",
       " 'jml_nn_21',\n",
       " 'jml_atom_rad_subs_mol_vol',\n",
       " 'jml_X_subs_mol_vol',\n",
       " 'jml_bp_divi_first_ion_en',\n",
       " 'jml_elec_aff_subs_mol_vol',\n",
       " 'jml_hfus_subs_mol_vol',\n",
       " 'jml_nn_20',\n",
       " 'jml_bp_divi_mol_vol',\n",
       " 'jml_bp_mult_X',\n",
       " 'jml_mp_divi_mol_vol',\n",
       " 'jml_hfus_mult_voro_coord',\n",
       " 'jml_mp_subs_therm_cond',\n",
       " 'jml_bp_subs_therm_cond',\n",
       " 'jml_mp_subs_atom_mass',\n",
       " 'jml_C-26',\n",
       " 'jml_C-16',\n",
       " 'jml_nn_19',\n",
       " 'jml_bp_add_atom_mass',\n",
       " 'jml_mp_add_therm_cond',\n",
       " 'jml_mp_add_atom_mass',\n",
       " 'jml_bp_add_mp',\n",
       " 'jml_bp_add_therm_cond',\n",
       " 'jml_bp_subs_atom_mass',\n",
       " 'jml_polzbl_add_mp',\n",
       " 'jml_bp_add_X',\n",
       " 'jml_mol_vol_add_mp',\n",
       " 'jml_mp_subs_mol_vol',\n",
       " 'jml_bp_subs_polzbl',\n",
       " 'jml_hfus_add_bp',\n",
       " 'jml_first_ion_en_add_mp',\n",
       " 'jml_mp_subs_polzbl',\n",
       " 'jml_bp_add_atom_rad',\n",
       " 'jml_mp_add_voro_coord',\n",
       " 'jml_mp_subs_X',\n",
       " 'jml_mp_subs_first_ion_en',\n",
       " 'jml_mp_subs_voro_coord',\n",
       " 'jml_first_ion_en_add_bp',\n",
       " 'jml_bp_subs_first_ion_en',\n",
       " 'jml_polzbl_add_bp',\n",
       " 'jml_hfus_add_mp',\n",
       " 'jml_mp_subs_atom_rad',\n",
       " 'jml_bp_subs_hfus',\n",
       " 'jml_bp_subs_X',\n",
       " 'jml_mp_add_atom_rad',\n",
       " 'jml_mp_add_X',\n",
       " 'jml_bp_subs_voro_coord',\n",
       " 'jml_bp_subs_mol_vol',\n",
       " 'jml_mol_vol_add_bp',\n",
       " 'jml_bp_subs_atom_rad',\n",
       " 'jml_mp',\n",
       " 'jml_bp_subs_elec_aff',\n",
       " 'jml_mp_subs_hfus',\n",
       " 'jml_elec_aff_add_mp',\n",
       " 'jml_bp_add_voro_coord',\n",
       " 'jml_elec_aff_add_bp',\n",
       " 'jml_block',\n",
       " 'jml_bp',\n",
       " 'jml_mp_subs_elec_aff',\n",
       " 'jml_is_transition_metal',\n",
       " 'jml_adf2_108',\n",
       " 'jml_nfvalence',\n",
       " 'jml_adf2_110',\n",
       " 'jml_adf2_90',\n",
       " 'jml_adf2_107',\n",
       " 'jml_adf2_115',\n",
       " 'jml_adf2_89',\n",
       " 'jml_adf2_88',\n",
       " 'jml_adf2_106',\n",
       " 'jml_adf2_105',\n",
       " 'jml_adf2_91',\n",
       " 'jml_adf2_103',\n",
       " 'jml_adf2_101',\n",
       " 'jml_adf2_92',\n",
       " 'jml_adf2_104',\n",
       " 'jml_adf2_114',\n",
       " 'jml_adf2_113',\n",
       " 'jml_adf2_112',\n",
       " 'jml_adf2_111',\n",
       " 'jml_adf2_87',\n",
       " 'jml_adf2_94',\n",
       " 'jml_adf2_102',\n",
       " 'jml_adf2_93',\n",
       " 'jml_adf2_95',\n",
       " 'jml_adf2_99',\n",
       " 'jml_adf2_85',\n",
       " 'jml_adf2_122',\n",
       " 'jml_adf2_116',\n",
       " 'jml_adf2_86',\n",
       " 'jml_adf2_96',\n",
       " 'jml_adf2_118',\n",
       " 'jml_adf2_84',\n",
       " 'jml_adf2_117',\n",
       " 'jml_adf2_77',\n",
       " 'jml_adf2_59',\n",
       " 'jml_adf2_97',\n",
       " 'jml_adf2_100',\n",
       " 'jml_adf2_170',\n",
       " 'jml_adf2_98',\n",
       " 'jml_adf2_165',\n",
       " 'jml_adf2_121',\n",
       " 'jml_adf2_71',\n",
       " 'jml_adf2_83',\n",
       " 'jml_adf2_124',\n",
       " 'jml_adf2_146',\n",
       " 'jml_adf2_129',\n",
       " 'jml_adf2_123',\n",
       " 'jml_adf2_148',\n",
       " 'jml_adf2_79',\n",
       " 'jml_adf2_126',\n",
       " 'jml_adf2_127',\n",
       " 'jml_adf2_169',\n",
       " 'jml_adf2_78',\n",
       " 'jml_adf2_69',\n",
       " 'jml_adf2_80',\n",
       " 'jml_adf2_128',\n",
       " 'jml_adf2_82',\n",
       " 'jml_adf2_81',\n",
       " 'jml_adf2_140',\n",
       " 'jml_adf2_145',\n",
       " 'jml_adf2_75',\n",
       " 'jml_adf2_131',\n",
       " 'jml_adf2_147',\n",
       " 'jml_adf2_73',\n",
       " 'jml_adf2_137',\n",
       " 'jml_adf2_138',\n",
       " 'jml_adf2_132',\n",
       " 'jml_adf2_130',\n",
       " 'jml_adf2_136',\n",
       " 'jml_adf2_52',\n",
       " 'jml_adf2_76',\n",
       " 'jml_adf2_164',\n",
       " 'jml_adf2_166',\n",
       " 'jml_adf2_58',\n",
       " 'jml_adf2_61',\n",
       " 'jml_adf2_72',\n",
       " 'jml_adf2_37',\n",
       " 'jml_adf2_53',\n",
       " 'jml_adf2_70',\n",
       " 'jml_adf2_141',\n",
       " 'jml_adf2_47',\n",
       " 'jml_adf2_50',\n",
       " 'jml_adf2_143',\n",
       " 'jml_adf2_62',\n",
       " 'jml_adf2_46',\n",
       " 'jml_adf2_133',\n",
       " 'jml_adf2_134',\n",
       " 'jml_adf2_49',\n",
       " 'jml_adf2_45',\n",
       " 'jml_adf2_43',\n",
       " 'jml_adf2_54',\n",
       " 'jml_adf2_63',\n",
       " 'jml_adf2_161',\n",
       " 'jml_adf2_36',\n",
       " 'jml_adf2_57',\n",
       " 'jml_adf2_64',\n",
       " 'jml_adf2_74',\n",
       " 'jml_adf2_142',\n",
       " 'jml_adf2_38',\n",
       " 'jml_adf2_163',\n",
       " 'jml_adf2_68',\n",
       " 'jml_adf2_167',\n",
       " 'jml_adf2_44',\n",
       " 'jml_adf2_55',\n",
       " 'jml_adf2_48',\n",
       " 'jml_adf2_65',\n",
       " 'jml_adf2_51',\n",
       " 'jml_adf2_66',\n",
       " 'jml_adf2_56',\n",
       " 'jml_adf2_41',\n",
       " 'jml_adf2_67',\n",
       " 'jml_adf2_40',\n",
       " 'jml_adf2_33',\n",
       " 'jml_adf2_23',\n",
       " 'jml_adf2_22',\n",
       " 'jml_adf2_39',\n",
       " 'jml_adf2_42',\n",
       " 'jml_adf2_26',\n",
       " 'jml_adf2_25',\n",
       " 'jml_adf2_29',\n",
       " 'jml_adf2_28',\n",
       " 'jml_adf2_24',\n",
       " 'jml_adf2_27']"
      ]
     },
     "execution_count": 150,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "dist2"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 147,
   "id": "65353e1c",
   "metadata": {},
   "outputs": [],
   "source": [
    "dist2 = []\n",
    "for i in range(X_pear.shape[1]):\n",
    "    dist2.append(label_pear[indices[i]])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 149,
   "id": "c464a7c2",
   "metadata": {
    "collapsed": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "(0.5498307447232178, 0.7591623036649214) 2\n",
      "(0.5954101951413779, 0.7591623036649214) 3\n",
      "(0.6996515332536838, 0.7801047120418848) 4\n",
      "(0.7294305057745917, 0.7766143106457243) 5\n",
      "(0.8195141377937076, 0.8324607329842932) 6\n",
      "(0.8255276782158503, 0.8394415357766143) 7\n",
      "(0.8255475906013541, 0.8359511343804538) 8\n",
      "(0.8391676622859419, 0.8411867364746946) 9\n",
      "(0.840063719633612, 0.8411867364746946) 10\n",
      "(0.8401035444046198, 0.8411867364746946) 11\n",
      "(0.8536041417761848, 0.8446771378708552) 12\n",
      "(0.8437674233373159, 0.849912739965096) 13\n",
      "(0.8579649542015134, 0.8411867364746946) 14\n",
      "(0.8573277578653924, 0.8568935427574171) 15\n",
      "(0.8547789725209081, 0.8446771378708552) 16\n",
      "(0.849442453205894, 0.8429319371727748) 17\n",
      "(0.8583432895260852, 0.8464223385689355) 18\n",
      "(0.8531660692951015, 0.837696335078534) 19\n",
      "(0.8451612903225807, 0.8359511343804538) 20\n",
      "(0.848168060533652, 0.8342059336823735) 21\n",
      "(0.8425925925925926, 0.8464223385689355) 22\n",
      "(0.8463361210673037, 0.837696335078534) 23\n",
      "(0.8422939068100358, 0.8481675392670157) 24\n",
      "(0.8453803265631223, 0.8568935427574171) 25\n",
      "(0.8426125049780964, 0.8429319371727748) 26\n",
      "(0.8439068100358422, 0.8586387434554974) 27\n",
      "(0.8521903624054161, 0.8516579406631762) 28\n",
      "(0.851652727996814, 0.8586387434554974) 29\n",
      "(0.8584030266825966, 0.8534031413612565) 30\n",
      "(0.8504978096375945, 0.8464223385689355) 31\n",
      "(0.848884906411788, 0.837696335078534) 32\n",
      "(0.8564715252887296, 0.8429319371727748) 33\n",
      "(0.8557546794105932, 0.8446771378708552) 34\n",
      "(0.8548187972919156, 0.8446771378708552) 35\n",
      "(0.8508164078056552, 0.8342059336823735) 36\n",
      "(0.8530465949820788, 0.8411867364746946) 37\n",
      "(0.8460175228992434, 0.8429319371727748) 38\n",
      "(0.850258861011549, 0.8464223385689355) 39\n",
      "(0.8369573874950219, 0.8359511343804538) 40\n",
      "(0.8551573078454798, 0.8516579406631762) 41\n",
      "(0.8441059338908802, 0.8342059336823735) 42\n",
      "(0.8422142572680207, 0.8446771378708552) 43\n",
      "(0.8517522899243328, 0.8307155322862129) 44\n",
      "(0.8446236559139785, 0.8446771378708552) 45\n",
      "(0.8453405017921146, 0.837696335078534) 46\n",
      "(0.8404221425726802, 0.8429319371727748) 47\n",
      "(0.8360215053763442, 0.8307155322862129) 48\n",
      "(0.8461369972122661, 0.8237347294938918) 49\n"
     ]
    }
   ],
   "source": [
    "X_pear_impo = df_pear[dist2].values\n",
    "\n",
    "best(X_pear_impo,y)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "25d88767",
   "metadata": {},
   "outputs": [],
   "source": []
  }
 ],
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