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Table 3 Number of actives and decoys in the DUD-E datasets for virtual screening test after preprocessing

From: Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening

Target Type Active Decoy Failed active\(^{\mathrm{a}}\) Failed decoy\(^{\mathrm{a}}\)
(a) DIV8: Diverse target subset
 akt1 Kinase 293 16,448 0 2
 ampc Enzyme 48 2850 0 0
 cp3a4 Cytochrome 170 11,798 0 2
 cxcr4 G protein-coupled receptor 40 3414 0 0
 gcr Nuclear receptor 258 14,996 0 4
 hivpr Protease 536 35,743 0 7
 hivrt Enzyme 337 18,887 1 4
 kif11 Other 116 6847 0 3
 Total   1794 110,983 1 22
Target Type Active Decoy Failed active\(^{\mathrm{a}}\) Failed decoy\(^{\mathrm{a}}\)
(b) NR11: Nuclear receptor target subset
 andr Androgen receptor 269 14,349 0 1
 esr1 Estrogen receptor alpha 383 20,685 0 0
 esr2 Estrogen receptor beta 367 20,199 0 0
 gcr Glucocorticoid receptor 258 14,996 0 4
 mcr Mineralocorticoid receptor 94 5150 0 0
 ppara Peroxisome proliferator-activated receptor alpha 373 19,399 0 0
 ppard Peroxisome proliferator-activated receptor delta 240 12,250 0 0
 pparg Peroxisome proliferator-activated receptor gamma 484 25,298 0 2
 prgr Progesterone receptor 293 15,814 0 0
 rxra Retinoid X receptor alpha 131 6950 0 0
 thb Thyroid hormone receptor beta-1 103 7450 0 0
 Total   2995 162,540 0 7
  1. \(^{\mathrm{a}}\)Actives and decoys which failed to pass all the preprocessing steps were not included in the virtual screening experiments