Table 2.
Pharmacophore model validation using goodness-of-hit score (GH) score method.
| Serial No. | Parameter | Pharmacophore Model |
|---|---|---|
| 1 | Total molecules in database (D) | 1000 |
| 2 | Total number of actives in database (A) | 30 |
| 3 | Total hits (Ht) | 36 |
| 4 | Active hits (Ha) | 26 |
| 5 | % Yield of actives[(Ha/Ht) × 100] | 72% |
| 6 | % Ratio of actives [(Ha/A) × 100] | 87% |
| 7 | Enrichment factor (E) [(Ha × D)/(Ht × A)] | 24 |
| 8 | False negatives [A − Ha] | 4 |
| 9 | False positives [Ht − Ha] | 10 |
| 10 | Goodness of hit score (GH) a | 0.75 |
a (Ha(3A + Ht)/4HtA)(1 − (Ht − Ha)/(D − A)); GH score of 0.7–0.8 indicates a very good model.