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. 2012 Jun 20;55(14):6582–6594. doi: 10.1021/jm300687e

Figure 3.

Figure 3

Decoy generation. (A) Three key “warhead” groups from factor Xa (FA10), glycinamide ribonucleotide transformylase (PUR2), and thymidine kinase (KITH). (B) Fraction of warheads remaining is plotted against the dissimilarity method. The dissimilarity methods consist of a fingerprint (Daylight or ECFP4) and either a hard cutoff or a fraction of the most dissimilar decoys to be retained. (C) Property distributions of estrogen receptor α (ESR1) for both the 383 ligands (blue) and the 20685 property-matched decoys (red).