The data for comparison were protein-ligand pairs from the DUD-E dataset . It was decided to choose an equal number of experimentally confirmed ligands ("actives") for each protein. 95 proteins (out of 102 in DUD-E) come with at least 100 "actives". For each of the 95 proteins, 100 "actives" were randomly selected, resulting in 9500 protein-ligand pairs. The "decoys" (ligands who are similar to "actives" but are believed not to have the same binding properties) were not used.