Predicting Regioselectivity in Radical C-H Functionalization of Heterocycles through Machine Learning.

Li, Xin; Zhang, Shuo-Qing; Xu, Li-Cheng; Hong, Xin

Li, Xin; Zhang, Shuo-Qing; Xu, Li-Cheng; Hong, Xin.

Afiliação

Li X; Department of Chemistry, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, China.
Zhang SQ; Department of Chemistry, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, China.
Xu LC; Department of Chemistry, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, China.
Hong X; Department of Chemistry, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, China.

Angew Chem Int Ed Engl ; 59(32): 13253-13259, 2020 08 03.

Article em En | MEDLINE | ID: mdl-32359009

Palavras-chave

machine learning; mechanism-based computational statistics; radical C−H functionalization; random forest model; regioselectivity prediction

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2020 Tipo de documento: Article

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