LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening

Viet-Khoa Tran-Nguyen, Célien Jacquemard, Didier Rognan. LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening. Journal of Chemical Information and Computer Sciences, 60(9):4263-4273, 2020. [doi]

Authors

Viet-Khoa Tran-Nguyen

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Célien Jacquemard

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Didier Rognan

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