Table 7.
Fragment | Name | Count1a | Count2b | F1c | F2d | IG |
---|---|---|---|---|---|---|
1H-pyrazole | 1 | 67 | 0.0375 | 1.6213 | 0.0153 | |
Thiazolidine | 0 | 56 | 0.0000 | 1.6455 | 0.0146 | |
Thiophene | 16 | 118 | 0.3044 | 1.4490 | 0.0133 | |
Morpholine | 0 | 51 | 0.0000 | 1.6455 | 0.0132 | |
4H-1,2,4-triazole | 0 | 48 | 0.0000 | 1.6455 | 0.0125 | |
Thiazole | 3 | 62 | 0.1177 | 1.5696 | 0.0113 | |
Benzo[d]thiazole | 1 | 50 | 0.0500 | 1.6132 | 0.0109 | |
1,3,4-thiadiazole | 0 | 36 | 0.0000 | 1.6455 | 0.0093 | |
Hexahydropyrimidine | 2 | 44 | 0.1108 | 1.5740 | 0.0081 | |
Piperidine | 3 | 46 | 0.1561 | 1.5448 | 0.0075 | |
Pyrrolidine | 1 | 36 | 0.0689 | 1.6010 | 0.0074 |
aCount1 denotes the number of inhibitors containing the fragment
bCount2 denotes the number of non-inhibitors containing the fragment
cF1 denotes the fragment frequency in the inhibitor class
dF2 denotes the fragment frequency in the non-inhibitor class