Table 1.
Hypo | Feature | Rank | A | D | Ha | Ht | HRA | IEI | CAI |
---|---|---|---|---|---|---|---|---|---|
1 | RHHA Ev5 | 146.041 | 71 | 284 | 71 | 193 | 100.00% | 1.47 | 1.47 |
2 | RHHA Ev5 | 139.068 | 71 | 284 | 71 | 195 | 100.00% | 1.46 | 1.46 |
3 | RHHA Ev5 | 139.068 | 71 | 284 | 71 | 202 | 100.00% | 1.41 | 1.41 |
4 | HHAA Ev5 | 138.882 | 71 | 284 | 71 | 190 | 100.00% | 1.50 | 1.50 |
5 | HHAA Ev5 | 135.055 | 71 | 284 | 69 | 175 | 97.18% | 1.58 | 1.53 |
6 | RHHA Ev5 | 133.328 | 71 | 284 | 71 | 205 | 100.00% | 1.39 | 1.39 |
7 | RHHA Ev5 | 132.828 | 71 | 284 | 68 | 155 | 95.77% | 1.75 | 1.68 |
8 | RHHA Ev5 | 131.732 | 71 | 284 | 71 | 210 | 100.00% | 1.35 | 1.35 |
9 | HHAA Ev5 | 127.370 | 71 | 284 | 68 | 139 | 95.77% | 1.96 | 1.87 |
10 | RHHA Ev5 | 125.768 | 71 | 284 | 71 | 164 | 100.00% | 1.73 | 1.73 |
A is the number of active compounds in the test set. D is the total number of compounds in test set. Ha is the number of active hits using pharmacophore to search. Ht is the number of hits using pharmacophore to search. HRA indicates the capability to recognize active molecules from the test set. IEI indicates the capability to recognize active molecules from nonactive molecules. CAI is the comprehensive appraisal index.