Research Article

In Silico Design of Human IMPDH Inhibitors Using Pharmacophore Mapping and Molecular Docking Approaches

Table 4

The evaluation of ligand-based pharmacophore model using the Güner-Henry scoring method.

Hypo-03Hypo-04Hypo-07Hypo-08

Total number of molecules in the decoy set ()729729729729
Total number of actives in the decoy set ()20202020
Active hits ()20202015
Total hits ()66753554
Yield of actives (%)100%100%100%75%
Hit rate of actives (%)30.30%26.67%57.14%27.78%
Enrichment factor ()11.059.7220.8310.13
Goodness of hit score (GH)0.450.410.670.50

GH: Güner-Henry.