In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening

Table 1

Pharmacophore model evaluation based on the Güner–Henry scoring method.

Serial no.	Parameter	Pharmacophore model
1	Total molecules in database ()	620
2	Total number of active in database ()	20
3	Total hits (Ht)	24
4	Active hits (Ha or Tp)	16
5	% yield of actives ()	66.66
6	% ratio of actives ()	80
7	Enrichment factor () ()	20.66
8	False negatives ()	4
9	False positives ()	8
10	True negative	592
11	Se^a %	80
12	Sp^b%	98.66
13	Goodness of hit score	0.69

^aSe: sensitivity (); ^bSp: specificity ().