BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening

Michael Brocidiacono, Paul G. Francoeur, Rishal Aggarwal, Konstantin I. Popov, David Ryan Koes, Alexander Tropsha. BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening. Journal of Chemical Information and Computer Sciences, 64(7):2488-2495, 2024. [doi]

Authors

Michael Brocidiacono

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Paul G. Francoeur

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Rishal Aggarwal

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Konstantin I. Popov

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David Ryan Koes

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Alexander Tropsha

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