Scripts for regioselectivity prediction
AutoLSF is a series of models that can predict the reaction sites of a number of C-H activation reactions. The first one we publish is the electrophilic aromatic substitution (EAS). Please see the readme file in the corresponsding section for more details.
Reference to publication on EAS: https://pubs.acs.org/doi/10.1021/acs.joc.8b02270