Research Article
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 () | 1258 | 2 | Total number of actives in database () | 34 | 3 | Total hits () | 42 | 4 | Active hits (TP) | 30 | 5 | True negative (TN) | 1216 | 6 | Enrichment factor or enhancement () | 26.42 | 7 | False negatives (FN = − TP) | 4 | 8 | False positives (FP = − 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 |
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