"Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles ..."

Eugene Raush, Ruben Abagyan, Maxim Totrov (2022)

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DOI: 10.1021/ACS.JCIM.2C00790

access: closed

type: Journal Article

metadata version: 2023-01-31

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Eugene Raush, Ruben Abagyan, Maxim Totrov:
Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles for Small Organic Molecules. J. Chem. Inf. Model. 62(23): 5896-5906 (2022)

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