September 3, 2024 In Unkategorisiert
Regio-MPNN: predicting regioselectivity for general metal-catalyzed cross-coupling reactions using a chemical knowledge informed message passing neural network
Digital Discovery, 2024, Advance Article
DOI: 10.1039/D4DD00244J, Paper
DOI: 10.1039/D4DD00244J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.
Baochen Li, Yuru Liu, Haibin Sun, Rentao Zhang, Yongli Xie, Klement Foo, Frankie S. Mak, Ruimao Zhang, Tianshu Yu, Sen Lin, Peng Wang, Xiaoxue Wang
As a fundamental problem in organic chemistry, regioselectivity is crucial in designing energy and cost-efficient reaction pathways for target compounds.
To cite this article before page numbers are assigned, use the DOI form of citation above.
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As a fundamental problem in organic chemistry, regioselectivity is crucial in designing energy and cost-efficient reaction pathways for target compounds.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry
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