Table 3A.
Statistical parameters for the calculation of Goodness of hit score (GH) and Enrichment Factor (EF).
| S.No | Parameters | Values |
|---|---|---|
| 1 | Total molecules in database (D) | 82254 |
| 2 | Total Number of Actives (A) | 4930 |
| 3 | Total hits (Ht) | 5689 |
| 4 | Active hits (Ha) | 4437 |
| 5 | % Yield of Actives [(Ha/Ht) × 100] | 78.01 |
| 6 | % Ratio of Actives [(Ha/A) × 100] | 90.05 |
| 7 | Enrichment Factor (E) [(Ha × D) / (Ht × A)] | 13.012 |
| 8 | False negatives [A − Ha] | 493 |
| 9 | False positives [Ht − Ha] | 1252 |
| 10 | Goodness of hit score (GH)a | 0.796 |
a
[(Ha/4HtA) (3A + Ht) × (1 − ((Ht − Ha) / (D − A)))]; GH score of >0.7 indicates a statistically good model.