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| parameter | optimized model |
|---|---|
| total no. of molecules in the database (D) | 1122 |
| total number of actives (A) | 20 |
| total number of inactives (I) | 1102 |
| total hits (Ht) | 26 |
| active hits (Ha) | 20 |
| sensitivity | 1 |
| specificity | 0.99 |
| % yield of actives (Ha/Htx100) | 76.9% |
| % ratio of actives (Ha/Ax100) | 100% |
| enrichment factor (EF) | 43.21 |
| false positives (Ht-Ha) | 6 |
| false negatives (A-Ha) | 0 |
| goodness of hit score (GH) | 0.82 |
