Predicting Regioselectivity in Radical C−H Functionalization of Heterocycles through Machine Learning - Li, Xin; Zhang, Shuo‐Qing; Xu, Li‐Cheng; Hong, Xin (Angewandte Chemie International Edition, 2020)
Keywords: Accuracy; Computer applications; Heterocyclic compounds; Hydrogen bonds; Learning algorithms; Machine learning; mechanism-based computational statistics; Predictions; radical C−H functionalization; random forest model; Regioselectivity; regioselectivity prediction; Selectivity; machine learning; radical C−H functionalization; random forest model; mechanism-based computational statistics; regioselectivity prediction