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Significantly changed bits between actives and decoys on DUD-E(MW ≤ 500). Eighty-four bits with absolute log2 fold change ≥ 1 between the actives and decoys and mean relative frequency ≥ 0.03 were selected as representative bits from the Morgan fingerprints (2,048 bits). The bits were sorted by frequencies of ZINC12 compounds. The chemical features of three selected bits are presented, and the chemical features of all 84 bits are summarized in Supplementary Table 4 .
