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Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors
Submitted on
Tue, 2020-09-08 09:42
Title
Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors
Publication Type
Journal Article
Year of Publication
2021
Authors
Yanfei Guan
Connor W. Coley
Haoyang Wu
Duminda Ranasinghe
Esther Heid
Thomas J. Struble
Lagnajit Pattanaik
William H. Green
Klavs F. Jensen
Journal
Chemical Science
Volume
12
Pagination
2198-2208
Keywords
DOI
http://dx.doi.org/10.1039/D0SC04823B
URL
https://doi.org/10.1039/D0SC04823B
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