Table 1.
Composition of the common-feature pharmacophore hypotheses generated by HipHop algorithm.
| Sr. No. | Features a | Rank b | Direct Hit c | Partial Hit d | Max Fit e |
|---|---|---|---|---|---|
| 1 | RA, RA, HBA, HBA, HYP, HYP | 71.08 | 1111 | 0000 | 6 |
| 2 | RA, RA, HBA, HBA, HYP, HYP | 70.28 | 1111 | 0000 | 6 |
| 3 | RA, RA, HBA, HBA, HYP, HYP | 70.28 | 1111 | 0000 | 6 |
| 4 | RA, RA, HBA, HBA, HYP, HYP | 69.48 | 1111 | 0000 | 6 |
| 5 | RA, HBA, HYP, HYP, HYPA | 66.18 | 1111 | 0000 | 5 |
| 6 | HBA, HYP, HYP, HYPA, HYPA | 66.09 | 1111 | 0000 | 5 |
| 7 | RA, HBA, HYP, HYP, HYPA | 66.04 | 1111 | 0000 | 5 |
| 8 | RA, HBA, HYP, HYP, HYPA | 66.00 | 1111 | 0000 | 5 |
| 9 | RA, RA, HBA, HYP, HYP | 65.96 | 1111 | 0000 | 5 |
| 10 | RA, RA, HBA, HYP, HYP | 65.96 | 1111 | 0000 | 5 |
a Features: RA: ring aromatic; HBA: hydrogen bond acceptor; HYP: hydrophobic; HYPA: hydrophobic aromatic. b Rank: The best hypothesis demonstrates the highest rank. The higher the rank score, the lower the likelihood of chance correlation. c Direct Hit: Value (1) signifies that the training set molecules mapped well to all chemical features of the hypothesis. d Partial Hit: Value (0) signifies that there was no partial mapping of the training set molecules with the hypothesis. e Max Fit: The maximum number of features in the hypothesis.