Research Article
Sulfonanilide Derivatives in Identifying Novel Aromatase Inhibitors by Applying Docking, Virtual Screening, and MD Simulations Studies
Table 2
Details of the decoy set method of validation. The GH values obtained conclude that the pharmacophore model is of a good quality.
| Parameters | Values |
| Total number of molecules in database () | 107 | Total number of active compounds in database () | 14 | Total number of Hit molecules from the database (Ht) | 15 | Total number of active molecules in Hit list (Ha) | 13 | % yield of active compounds (Ha/Ht) | 0.8 | % ratio of active compounds [(Ha/) 100] | 92 | Enrichment factor (EF) | 6.0 | False negatives () | 1 | False positives (Ht − Ha) | 2 | Goodness of fit score (GF) | 0.76 |
|
|