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Table 2 Four datasets for the pose prediction test

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

Name Description Number of complexes References
PDBbind v2014 (core-set) Representatives of protein clusters of high-quality structures selected from Protein Data Bank 195 [37]
Astex diverse set Proteins are pharmaceutical or agrochemical targets; ligands are approved drugs or in clinical trials 85 [38]
GOLD benchmark set Selected diverse complexes which were checked to be free from structural errors 77 [39]
SB2012 docking validation set Ligands with a wide range of flexibilities 1043 [40]