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Table 2 Pharmacophore model evaluation based on the Güner-Henry scoring method

From: The discovery of potential acetylcholinesterase inhibitors: A combination of pharmacophore modeling, virtual screening, and molecular docking studies

Serial No.

Parameter

AChE

1

Total molecules in database (D)

3606

2

Total Number of active in database (A)

66

3

Total Hits (Ht)

75

4

Active Hits (Ha)

53

5

% Yield of actives [(Ha/Ht)×100]

70.67

6

% Ratio of actives [(Ha/A)×100]

80.30

7

Enrichment factor (E) [(Ha×D)/(Ht×A)]

38.61

8

False negatives [A-Ha]

13

9

False positives [Ht-Ha]

22

10

Goodness of hit scorea

0.73

  1. a [(Ha/4HtA)(3AtHt)) × (1-((Ht-Ha)/(D-A))]; GH Score of 0.7-0.8 indicates a very good model.