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 |