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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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Detalles Bibliográficos
Autores principales: Gao, Hanyu, Struble, Thomas J., Coley, Connor W., Wang, Yuran, Green, William H., Jensen, Klavs F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6276053/
https://www.ncbi.nlm.nih.gov/pubmed/30555898
http://dx.doi.org/10.1021/acscentsci.8b00357