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matsuken92 / molecular

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permutation importance #8

Open matsuken92 opened 5 years ago

matsuken92 commented 5 years ago

結果

  col score
165 a0_nb_nb_na -1.112013062
182 a1_nb_nb_na -1.112010528
129 dist_N_4_y -1.111936935
70 N -1.111934922
160 a0_nb_inring8 -1.111823182
108 dist_N_4_x -1.111807266
112 dist_O_3_x -1.111806982
146 a1_inring8 -1.111719052
135 dist_F_1_y -1.111637475
114 dist_F_1_x -1.111589827
177 a1_nb_inring8 -1.111435136
133 dist_O_3_y -1.111380664
176 a1_nb_inring7 -1.111293302
107 dist_N_3_x -1.111152392
128 dist_N_3_y -1.110694361
147 a1_nb_h -1.110670813
151 a1_nb_na -1.110529883
175 a1_nb_inring6 -1.110188478
159 a0_nb_inring7 -1.109420562
71 O -1.10895484
134 dist_F_0_y -1.108737256
57 f004:angle_abs -1.108732915
113 dist_F_0_x -1.107618686
149 a1_nb_c -1.107154174
171 a1_nb_inring -1.106873745
46 atom_index_0 -1.106630433
127 dist_N_2_y -1.10642705
56 f004:angle -1.10608801
40 molecule_atom_index_0_x_1_std -1.105709471
145 a1_inring7 -1.105021385
179 a1_nb_nb_o -1.104498941
37 molecule_atom_index_0_z_1_std -1.104268143
180 a1_nb_nb_c -1.104118467
172 a1_nb_inring3 -1.103653021
168 z_a0_nb -1.102926643
106 dist_N_2_x -1.102434827
111 dist_O_2_x -1.101737876
9 z_0 -1.1016572
166 x_a0_nb -1.101161239
68 C -1.100899349
54 molecule_atom_index_0_y_1_mean_div -1.100771248
12 z_1 -1.100715905
132 dist_O_2_y -1.100628728
7 x_0 -1.100368104
53 molecule_atom_1_dist_mean -1.100109668
47 molecule_dist_max -1.100053949
30 molecule_atom_index_0_y_1_std -1.099971728
170 a1_nb_hybridization -1.098417263
185 z_a1_nb -1.097208509
158 a0_nb_inring6 -1.096861507
178 a1_nb_nb_h -1.09612906
183 x_a1_nb -1.095083464
174 a1_nb_inring5 -1.094897107
43 molecule_atom_index_0_y_1_mean_diff -1.094574444
10 x_1 -1.094272176
58 f006:dist_origin_mean -1.093844777
173 a1_nb_inring4 -1.093193602
67 dist_yz -1.092104619
137 tda_min_radius -1.089948563
50 molecule_atom_index_0_y_1_max_diff -1.088662112
26 molecule_couples -1.08664926
144 a1_inring6 -1.086099145
77 eem2015ha_0 -1.086022277
181 a1_nb_nb_n -1.085505619
8 y_0 -1.082754524
167 y_a0_nb -1.082034517
69 H -1.081795067
62 Torsion -1.081111997
65 dist_xy -1.080955955
28 molecule_dist_mean -1.079688105
169 a1_nb_degree -1.07952939
80 eem2015ba_0 -1.079072538
140 a1_inring -1.075265605
27 atom_index_1 -1.075261236
184 y_a1_nb -1.073903559
24 atom_1_couples_count -1.073836483
4 molecule_atom_index_0_dist_std -1.064799226
79 eem2015hn_0 -1.064729874
66 dist_xz -1.064104989
11 y_1 -1.063710934
126 dist_N_1_y -1.062593088
161 a0_nb_nb_h -1.062132427
13 molecule_atom_index_1_dist_std -1.062098807
20 atom_0_couples_count -1.061748091
82 eem2015bn_0 -1.060061348
15 molecule_atom_index_1_dist_mean -1.058584525
78 eem2015hm_0 -1.055974878
98 dist_H_4_x -1.055880026
163 a0_nb_nb_c -1.052362791
90 eem2015hn_1 -1.049511051
6 abs_dist -1.048671312
150 a1_nb_n -1.047777504
152 a0_nb_degree -1.044808423
55 molecule_type_dist_mean_div -1.042827549
59 f006:dist_from_origin_0 -1.042529876
32 molecule_atom_index_1_dist_std_div -1.041482126
97 dist_H_3_x -1.040533222
52 molecule_type_dist_mean_diff -1.035307441
136 tda_max_radius -1.030314461
31 molecule_atom_index_1_dist_mean_diff -1.029554234
157 a0_nb_inring5 -1.029421767
41 molecule_dist_min -1.028800628
93 eem2015bn_1 -1.026462014
105 dist_N_1_x -1.025946591
143 a1_inring5 -1.022427996
119 dist_H_4_y -1.022404744
3 molecule_atom_index_0_dist_mean -1.015186742
131 dist_O_1_y -1.012163293
75 qeq_0 -1.01102088
103 dist_C_4_x -1.009046528
33 molecule_atom_index_1_dist_mean_div -1.005916839
81 eem2015bm_0 -0.999774676
89 eem2015hm_1 -0.998804592
110 dist_O_1_x -0.996585017
23 molecule_atom_index_0_dist_mean_div -0.99499342
138 a1_degree -0.994419158
48 molecule_atom_1_dist_std_diff -0.993751008
155 a0_nb_inring3 -0.992253131
83 eem_1 -0.992241132
118 dist_H_3_y -0.988403792
88 eem2015ha_1 -0.987210775
60 f006:dist_from_origin_1 -0.986401873
45 molecule_atom_1_dist_min_div -0.986254147
36 molecule_atom_index_1_dist_max_div -0.985161635
22 molecule_atom_index_1_dist_std_diff -0.983165531
87 qtpie_1 -0.978741255
86 qeq_1 -0.978364458
124 dist_C_4_y -0.975909986
156 a0_nb_inring4 -0.975480691
141 a1_inring3 -0.963801998
35 molecule_atom_index_1_dist_min_div -0.959724239
76 qtpie_0 -0.954851255
117 dist_H_2_y -0.951396997
96 dist_H_2_x -0.947588042
38 molecule_type_dist_std_diff -0.94301214
154 a0_nb_inring -0.942680382
14 molecule_atom_index_1_dist_max -0.9379116
164 a0_nb_nb_n -0.932200152
49 molecule_type_dist_max -0.931057011
34 molecule_atom_index_1_dist_min_diff -0.919096142
148 a1_nb_o -0.914592504
29 molecule_atom_index_1_dist_max_diff -0.910659114
92 eem2015bm_1 -0.905534036
123 dist_C_3_y -0.90273081
18 molecule_atom_index_0_dist_std_diff -0.899956115
39 molecule_atom_1_dist_min_diff -0.895641356
25 molecule_atom_index_0_dist_mean_diff -0.8821538
72 eem_0 -0.860333712
2 molecule_atom_index_1_dist_min -0.856842489
116 dist_H_1_y -0.841200916
1 molecule_atom_index_0_dist_max -0.83557023
122 dist_C_2_y -0.835178759
85 gasteiger_1 -0.816051241
115 dist_H_0_y -0.814608055
102 dist_C_3_x -0.809470926
0 molecule_atom_index_0_dist_min -0.801698968
16 molecule_atom_index_0_dist_max_diff -0.798300676
19 molecule_atom_index_0_dist_std_div -0.795718602
121 dist_C_1_y -0.777487114
142 a1_inring4 -0.772961786
95 dist_H_1_x -0.760184996
162 a0_nb_nb_o -0.742692516
91 eem2015ba_1 -0.735620626
17 molecule_atom_index_0_dist_max_div -0.724556811
139 a1_hybridization -0.70319541
100 dist_C_1_x -0.693743527
125 dist_N_0_y -0.692183105
153 a0_nb_hybridization -0.689803587
51 molecule_type_0_dist_std_diff -0.673595697
101 dist_C_2_x -0.64561302
104 dist_N_0_x -0.639355346
21 molecule_atom_index_0_dist_min_div -0.620996527
109 dist_O_0_x -0.614340054
42 molecule_atom_index_0_dist_min_diff -0.598666612
130 dist_O_0_y -0.591020522
99 dist_C_0_x -0.567497306
74 gasteiger_0 -0.518165734
73 mmff94_0 -0.423066385
120 dist_C_0_y -0.412670643
84 mmff94_1 -0.406971143
64 cosT -0.406488579
94 dist_H_0_x -0.387788254
186 dist_to_type_mean -0.008194904
61 Angle 0.072844373
63 cos2T 0.114771821
5 dist 0.59747486
44 molecule_type_dist_min 1.139391932