Table 1 Statistical parameters of top 10 generated pharmacophore models
Hypo No | Maximum fit | Total cost | Cost Distance | RMS | Correlation coefficient (r) | Features |
|---|---|---|---|---|---|---|
1 | 7.6279 | 140.872 | 191.39 | 2.3050 | 0.8699 | HBA HYD HYD RA |
2 | 7.0756 | 148.201 | 184.07 | 2.4248 | 0.8549 | HBA HYD HYD RA |
3 | 7.2516 | 159.58 | 172.69 | 2.6073 | 0.8299 | HBA HYD HYD HYD |
4 | 7.1597 | 163.686 | 168.58 | 2.6688 | 0.8209 | HBA HYD HYD HYD |
5 | 8.0987 | 167.976 | 164.29 | 2.7243 | 0.8126 | HBA HBA HYD HYD HYD |
6 | 9.1462 | 183.64 | 148.63 | 2.9539 | 0.7750 | HBA HBD HYD HYD HYD |
7 | 6.0757 | 187.008 | 145.26 | 2.9559 | 0.7747 | HBA HBD HYD HYD HYD |
8 | 7.1269 | 190.955 | 141.31 | 3.0500 | 0.7577 | HBA HBD HYD HYD |
9 | 6.6619 | 192.426 | 139.84 | 3.0646 | 0.7550 | HBD HYD HYD RA |
10 | 6.9375 | 197.277 | 134.99 | 3.1088 | 0.746826 | HBA HBA HYD HYD HYD |