Table 4.
Statistical parameters of GH score validation for Hypo 1.
S. No | Parameters | Results |
---|---|---|
1 | Total molecules in database (D) | 453 |
2 | Total no. of actives in database (A) | 206 |
3 | Total hits (Ht) | 230 |
4 | Active hits (Ha) | 197 |
5 | % Yield of actives [(Ha/Ht) X 100] | 85.65 |
6 | % Ratio of actives [(Ha/A) X 100] | 95.63 |
7 | Enrichment factor (E) [(Ha X D)/(Ht X A)] | 1.88 |
8 | False negatives [A - Ha] | 9 |
9 | False positives [Ht - Ha] | 33 |
10 | Goodness of hit (GH)* | 0.76 |
*[(Ha/4HtA)(3A + Ht) X (1 – (Ht – Ha)/(D –A))]; GH score of 0.6-0.8 indicates a very good model.