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Machine learning of reaction properties via learned representations of the condensed graph of reaction
Submitted on
Mon, 2021-08-23 16:17
Title
Machine learning of reaction properties via learned representations of the condensed graph of reaction
Publication Type
Journal Article
Year of Publication
2021
Authors
Esther Heid
William H. Green
Journal
Journal of Chemical Information and Modeling
Issue
Special Issue: From Reaction Informatics to Chemical Space
Keywords
DOI
http://dx.doi.org/https://doi.org/10.1021/acs.jcim.1c00975
URL
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00975
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