Table 1.
Features of each pharmacophoric model generated using GALAHAD.
| Model | Specificity | N_Hits | Features | Pareto | Energy (kcal/mol) | Sterics | HBond | Mol_QRY |
|---|---|---|---|---|---|---|---|---|
| 01 | 2.399 | 03 | 07 | 00 | 1215.88 | 541.80 | 57.00 | 3.29 |
| 02 | 3.069 | 01 | 09 | 00 | 90.97 | 532.10 | 54.00 | 2.22 |
| 03 | 3.875 | 00 | 06 | 00 | 303, 52.40 | 537.80 | 55.30 | 5.78 |
| 04 | 3.676 | 01 | 05 | 00 | 31.35 | 529.70 | 55.30 | 0.58 |
| 05 | 2.993 | 03 | 05 | 00 | 30.33 | 472.30 | 54.60 | 2.25 |
| 06 | 1.900 | 03 | 04 | 00 | 148.83 | 533.80 | 52.90 | 2.67 |
| 07 | 5.526 | 00 | 08 | 00 | 187, 147.79 | 547.20 | 56.80 | 0.53 |
| 08 | 3.939 | 01 | 06 | 00 | 4453, 411.50 | 549.30 | 56.50 | 1.67 |
| 09 | 3.068 | 03 | 05 | 00 | 45.49 | 536.90 | 54.60 | 0.22 |
| 10 | 3.082 | 04 | 04 | 00 | 72.56 | 514.90 | 55.20 | 0.80 |