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166 to 0.032 for DUD-E and from 0.109 to 0.038 for DEKOIS 2.0. Further, the generated decoys are harder to distinguish than the original decoy molecules via docking with Autodock Vina, with virtual screening performance falling from an AUC ROC of 0.70 to 0.63. The code is available at https//github.com/oxpig/DeepCoy. Generated molecules can be downloaded from http//opig.stats.ox.ac.uk/resources. Supplementary data are available at Bioinformatics online. Supplementary data are available at Bioinformatics online. Biomolecular structures c