Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles for Small Organic Molecules

Eugene Raush, Ruben Abagyan, Maxim Totrov. Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles for Small Organic Molecules. Journal of Chemical Information and Computer Sciences, 62(23):5896-5906, 2022. [doi]

Authors

Eugene Raush

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Ruben Abagyan

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Maxim Totrov

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