"Learning Atomic Interactions through Solvation Free Energy Prediction ..."

Yashaswi Pathak, Sarvesh Mehta, U. Deva Priyakumar (2021)

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DOI: 10.1021/ACS.JCIM.0C01413

access: closed

type: Journal Article

metadata version: 2021-03-23

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Yashaswi Pathak, Sarvesh Mehta, U. Deva Priyakumar:
Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural Networks. J. Chem. Inf. Model. 61(2): 689-698 (2021)

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