Directory of Useful Decoys

To build this directory, 2950 active molecules for 40 proteins were derived from literature. For each of the 2950 actives, 36 decoys were added to the database. For this purpose, a total of 95 316 decoys were obtained from a set of drug-like commercially available compounds [62]. However, Irwin [63] reported several benchmark biases (e.g., analogue bias) discovered in the DUD database. Moreover, this fact cannot be denied that some of the commercial compounds used as decoys have biological activity for the corresponding target protein. 

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