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"Machine Learning of Reaction Properties via Learned Representations of the ..."

Esther Heid, William H. Green Jr. (2022)

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DOI: 10.1021/ACS.JCIM.1C00975

access: open

type: Journal Article

metadata version: 2023-05-13

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Esther Heid, William H. Green Jr.:
Machine Learning of Reaction Properties via Learned Representations of the Condensed Graph of Reaction. J. Chem. Inf. Model. 62(9): 2101-2110 (2022)

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