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Table 3 Validation of Hypo1 by employing decoy set method

From: Exploration for novel inhibitors showing back-to-front approach against VEGFR-2 kinase domain (4AG8) employing molecular docking mechanism and molecular dynamics simulations

S. no Parameters Values
1 Total number of molecules in database (D) 710
2 Total number of actives in database (A) 15
3 Total number of hit molecules from the database (Ht) 17
4 Total number of active molecules in hit list (Ha) 14
5 % Yield of active [(Ha/Ht) 82
6 % Ratio of actives [(Ha/A) X 100] 93
7 Enrichment Factor (EF) 44.17
8 False negatives (A-Ha) 1
9 False Positives (Ht–Ha) 3
10 Goodness of fit score (GH) 0.79
  1. *GH score between 0.6–0.8 is regarded as a good score