Structure-Based Virtual Screening and Molecular Dynamic Simulation Studies to Identify Novel Cytochrome bc1 Inhibitors as Antimalarial Agents

Table 1

The statistical parameters obtained from decoy test.

Sr. no.	Parameter	Hypo1
1	Total compounds in database (𝐷)	1258
2	Total number of actives in database (𝐴)	34
3	Total hits (𝐻𝑡)	42
4	Active hits (TP)	30
5	True negative (TN)	1216
6	Enrichment factor or enhancement (𝐸)	26.42
7	False negatives (FN = 𝐴 − TP)	4
8	False positives (FP = 𝐻𝑡 − TP)	8
9	GH score (goodness of hit list)	0.748
10	Accuracy = (TP + TN)/(TP + TN + FP + FN)	0.990
11	Precision = TP/(TP + FP)	0.789
12	Sensitivity = TP/(TP + FN)	0.882
13	Specificity = TN/(TN + FP)	0.993