[ASAP] S < sub > N < /sub > Ar Regioselectivity Predictions: Machine Learning Triggering DFT Reaction Modeling through Statistical Threshold

Journal of Chemical Information and ModelingDOI: 10.1021/acs.jcim.3c00580

Source: Journal of Chemical Information and Modeling - June 5, 2023 Category: Chemistry Authors: Yanfei Guan, Taegyo Lee, Ke Wang, Shu Yu, and J. Christopher McWilliams Source Type: research