-
Notifications
You must be signed in to change notification settings - Fork 0
/
grep_nn.txt
50 lines (50 loc) · 4.3 KB
/
grep_nn.txt
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
output_maccs:Train 0.981994 0.997802 0.964081 0.975069 0.988920 0.981994
output_maccs:Test 0.786972 0.931643 0.418950 0.951220 0.774194 0.862707
output_maccs:Ext1 0.625000 0.564284 0.074182 0.446809 0.654804 0.550806
output_maccs:Ext2 0.751374 0.487757 -0.031075 0.758860 0.117647 0.438254
output_maccs:Ext3 0.728139 0.748691 0.300074 0.748991 0.624161 0.686576
output_top:Train 0.889197 0.978499 0.786597 0.961219 0.817175 0.889197
output_top:Test 0.610915 0.815777 0.232352 0.853659 0.592030 0.722844
output_top:Ext1 0.493902 0.594117 0.076033 0.638298 0.469751 0.554024
output_top:Ext2 0.955357 0.803949 0.014613 0.965949 0.058824 0.512386
output_top:Ext3 0.870516 0.876969 0.476199 0.955585 0.446309 0.700947
output_ecfp:Train 0.861496 0.936465 0.726220 0.814404 0.908587 0.861496
output_ecfp:Test 0.757042 0.821979 0.272028 0.707317 0.760911 0.734114
output_ecfp:Ext1 0.634146 0.598887 0.132557 0.531915 0.651246 0.591580
output_ecfp:Ext2 0.680632 0.744430 0.088637 0.680334 0.705882 0.693108
output_ecfp:Ext3 0.672085 0.728151 0.253668 0.675639 0.654362 0.665001
output_fcfp:Train 0.803324 0.887098 0.612552 0.734072 0.872576 0.803324
output_fcfp:Test 0.813380 0.816286 0.320105 0.682927 0.823529 0.753228
output_fcfp:Ext1 0.609756 0.577572 0.035258 0.404255 0.644128 0.524192
output_fcfp:Ext2 0.705357 0.763847 0.069367 0.706741 0.588235 0.647488
output_fcfp:Ext3 0.687780 0.738174 0.262862 0.697174 0.640940 0.669057
output_pub:Train 0.997230 0.999962 0.994460 0.997230 0.997230 0.997230
output_pub:Test 0.779930 0.860068 0.306597 0.731707 0.783681 0.757694
output_pub:Ext1 0.649390 0.601196 0.146706 0.531915 0.669039 0.600477
output_pub:Ext2 0.764423 0.715203 0.060430 0.767894 0.470588 0.619241
output_pub:Ext3 0.743274 0.762375 0.337422 0.760431 0.657718 0.709074
output_ecfp:Train 0.861496 0.936465 0.726220 0.814404 0.908587 0.861496
output_ecfp:Test 0.757042 0.821979 0.272028 0.707317 0.760911 0.734114
output_ecfp:Ext1 0.634146 0.598887 0.132557 0.531915 0.651246 0.591580
output_ecfp:Ext2 0.680632 0.744430 0.088637 0.680334 0.705882 0.693108
output_ecfp:Ext3 0.672085 0.728151 0.253668 0.675639 0.654362 0.665001
output_fcfp:Train 0.803324 0.887098 0.612552 0.734072 0.872576 0.803324
output_fcfp:Test 0.813380 0.816286 0.320105 0.682927 0.823529 0.753228
output_fcfp:Ext1 0.609756 0.577572 0.035258 0.404255 0.644128 0.524192
output_fcfp:Ext2 0.705357 0.763847 0.069367 0.706741 0.588235 0.647488
output_fcfp:Ext3 0.687780 0.738174 0.262862 0.697174 0.640940 0.669057
output_maccs:Train 0.981994 0.997802 0.964081 0.975069 0.988920 0.981994
output_maccs:Test 0.786972 0.931643 0.418950 0.951220 0.774194 0.862707
output_maccs:Ext1 0.625000 0.564284 0.074182 0.446809 0.654804 0.550806
output_maccs:Ext2 0.751374 0.487757 -0.031075 0.758860 0.117647 0.438254
output_maccs:Ext3 0.728139 0.748691 0.300074 0.748991 0.624161 0.686576
output_pub:Train 0.997230 0.999962 0.994460 0.997230 0.997230 0.997230
output_pub:Test 0.779930 0.860068 0.306597 0.731707 0.783681 0.757694
output_pub:Ext1 0.649390 0.601196 0.146706 0.531915 0.669039 0.600477
output_pub:Ext2 0.764423 0.715203 0.060430 0.767894 0.470588 0.619241
output_pub:Ext3 0.743274 0.762375 0.337422 0.760431 0.657718 0.709074
output_top:Train 0.889197 0.978499 0.786597 0.961219 0.817175 0.889197
output_top:Test 0.610915 0.815777 0.232352 0.853659 0.592030 0.722844
output_top:Ext1 0.493902 0.594117 0.076033 0.638298 0.469751 0.554024
output_top:Ext2 0.955357 0.803949 0.014613 0.965949 0.058824 0.512386
output_top:Ext3 0.870516 0.876969 0.476199 0.955585 0.446309 0.700947