TABLE 8.
Number of compounds selected from each pharmacophore model in different thresholds of similarity values (Tanimoto index) in relation to Roc-A.
Tanimoto index thresholds | ||||
---|---|---|---|---|
≥0.20 | ≥0.25 | ≥0.3 | ≥0.35 | ≥0.40 |
Model 1 | ||||
8 | 8 | 8 | 6 | 6 |
Model 2 | ||||
2 | 2 | 2 | 2 | 2 |
Model 3 | ||||
991 | 986 | 814 | 242 | 45 |
Model 4 | ||||
129 | 103 | 74 | 28 | 13 |
Model 5 | ||||
264 | 232 | 150 | 107 | 31 |
Model 6 | ||||
216 | 191 | 116 | 32 | 10 |
Model 7 | ||||
730 | 725 | 562 | 205 | 34 |