For illustration, all generated molecules using the biased and unbiased generators were docked into the binding site using the same protocol as the ChEMBL31 COX2 set (although, in a practical situation, one could use the ADMET filters to select molecules before docking.) The molecules were prepared for docking with Schrödinger LigPrep, considering all states and stereoisomers at pH 7.4±2.0. 72% of the molecules generated with the unbiased generator could be successfully docked into the COX-2 pocket, against 65% from the biased generator (Table ). Figure shows a clear improvement in the docking scores for the generated molecules after the biasing procedure, with the average GlideSP Score obtained for generated molecules improving by 2.98 kcal/mol in the biased set as compared to unbiased, and half of the generated molecules resulting in a docking score below -10.20 kcal/mol (Table ).