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.

ParametersValues

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