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Tran-Nguyen et al., 2020 - Google Patents

LIT-PCBA: an unbiased data set for machine learning and virtual screening

Tran-Nguyen et al., 2020

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Document ID
12689080403348380538
Author
Tran-Nguyen V
Jacquemard C
Rognan D
Publication year
Publication venue
Journal of chemical information and modeling

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Snippet

Comparative evaluation of virtual screening methods requires a rigorous benchmarking procedure on diverse, realistic, and unbiased data sets. Recent investigations from numerous research groups unambiguously demonstrate that artificially constructed ligand …
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