Table 6 Results of area under ROC curves (AUC-ROC) and enrichment factor (EF) of virtual screening the DUD-E diverse targets (DIV8) using AutoDock Vina, PSOVina, and chaos-embedded PSOVina\(^{{\mathrm{2LS}}}\) with Singer and sinusoidal maps
From: Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening
Target | AutoDock Vina | PSOVina | Singer | Sinusoidal | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
AUC | EF\(_{1\%}\) | EF\(_{20\%}\) | AUC | EF\(_{1\%}\) | EF\(_{20\%}\) | AUC | EF\(_{1\%}\) | EF\(_{20\%}\) | AUC | EF\(_{1\%}\) | EF\(_{20\%}\) | |
akt1 | 0.55 | 0.00 | 1.52 | 0.47 | 1.71 | 1.31 | 0.40 | 1.37 | 0.75 | 0.42 | 2.05 | 0.84 |
ampc | 0.60 | 0.00 | 1.25 | 0.59 | 0.00 | 1.46 | 0.62 | 2.08 | 1.56 | 0.63 | 2.08 | 1.56 |
cp3a4 | 0.58 | 0.60 | 1.65 | 0.59 | 1.19 | 1.62 | 0.57 | 1.19 | 1.53 | 0.58 | 1.79 | 1.53 |
cxcr4 | 0.52 | 0.00 | 0.87 | 0.54 | 0.00 | 0.75 | 0.59 | 0.00 | 0.25 | 0.59 | 0.00 | 0.87 |
gcr | 0.53 | 10.43 | 1.98 | 0.53 | 10.82 | 1.88 | 0.53 | 11.59 | 1.90 | 0.53 | 11.98 | 1.88 |
hivpr | 0.71 | 4.10 | 2.31 | 0.71 | 3.17 | 2.38 | 0.71 | 2.98 | 2.34 | 0.69 | 3.17 | 2.17 |
hivrt | 0.66 | 4.77 | 2.20 | 0.65 | 4.77 | 2.17 | 0.65 | 4.77 | 1.93 | 0.64 | 4.77 | 1.92 |
kif11 | 0.84 | 23.15 | 3.66 | 0.85 | 25.73 | 3.71 | 0.87 | 24.87 | 3.92 | 0.86 | 18.87 | 3.71 |
Average | 0.62 | 5.38 | 1.93 | 0.62 | 5.92 | 1.91 | 0.61 | 6.11 | 1.77 | 0.62 | 5.59 | 1.81 |