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Table 7 Results of area under ROC curves (AUC-ROC) and enrichment factor (EF) of virtual screening the DUD-E nuclear receptor targets (NR11) 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\(_{20\%}\)
andr 0.57 11.54 1.93 0.57 11.17 1.90 0.57 11.17 1.84 0.57 10.79 1.88
esr1 0.75 13.82 2.74 0.74 13.56 2.60 0.74 11.73 2.62 0.73 12.77 2.69
esr2 0.77 11.70 3.09 0.76 10.88 3.04 0.76 12.51 3.00 0.76 13.06 3.05
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
mcr 0.53 3.22 1.54 0.53 3.22 1.54 0.53 3.22 1.60 0.53 3.22 1.54
ppara 0.85 4.55 3.65 0.80 2.68 2.98 0.75 2.14 2.60 0.73 1.07 2.24
ppard 0.81 2.50 3.33 0.79 2.08 2.75 0.72 0.83 2.06 0.74 1.67 2.17
pparg 0.79 5.57 3.11 0.76 3.30 2.52 0.72 2.89 2.13 0.70 2.68 2.02
prgr 0.61 9.56 2.25 0.61 9.56 2.24 0.61 9.56 2.22 0.60 9.90 2.25
rxra 0.83 33.50 3.55 0.83 32.74 3.47 0.81 33.50 3.51 0.81 32.73 3.44
thb 0.81 26.05 3.35 0.81 25.09 3.40 0.81 27.02 3.25 0.80 25.08 3.25
Average 0.71 12.04 2.78 0.70 11.37 2.57 0.69 11.47 2.43 0.68 11.36 2.40
Average\(^{\mathrm{a}}\) 0.67 14.98 2.55 0.67 14.63 2.51 0.67 15.04 2.49 0.67 14.94 2.50
  1. \(^{\mathrm{a}}\)Averaged without ppara, ppard and pparg