Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening

Stanislaw Jastrzebski, Maciej Szymczak, Agnieszka Pocha, Stefan Mordalski, Jacek Tabor, Andrzej J. Bojarski, Sabina Podlewska. Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening. Journal of Chemical Information and Computer Sciences, 60(9):4246-4262, 2020. [doi]

Abstract

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