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-03 | Hypo-04 | Hypo-07 | Hypo-08 |
| Total number of molecules in the decoy set () | 729 | 729 | 729 | 729 | Total number of actives in the decoy set () | 20 | 20 | 20 | 20 | Active hits () | 20 | 20 | 20 | 15 | Total hits () | 66 | 75 | 35 | 54 | Yield of actives (%) | 100% | 100% | 100% | 75% | Hit rate of actives (%) | 30.30% | 26.67% | 57.14% | 27.78% | Enrichment factor () | 11.05 | 9.72 | 20.83 | 10.13 | Goodness of hit score (GH) | 0.45 | 0.41 | 0.67 | 0.50 |
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GH: Güner-Henry.
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