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Using Machine Learning To Predict Suitable Conditions for Organic Reactions

[Image: see text] Reaction condition recommendation is an essential element for the realization of computer-assisted synthetic planning. Accurate suggestions of reaction conditions are required for experimental validation and can have a significant effect on the success or failure of an attempted tr...

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Bibliografiske detaljer
Udgivet i:ACS Cent Sci
Main Authors: Gao, Hanyu, Struble, Thomas J., Coley, Connor W., Wang, Yuran, Green, William H., Jensen, Klavs F.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2018
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6276053/
https://ncbi.nlm.nih.gov/pubmed/30555898
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.8b00357
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