Machine Learning for Reaction Performance Prediction in Allylic Substitution Enhanced by Automatic Extraction of a Substrate-Aware Descriptor
Gufeng Yu, Xi Wang, Yichong Luo, Guanlin Li, Rui Ding, Runhan Shi, Xiaohong Huo, Yang Yang
Journal of Chemical Information and Modeling
2025
- DOI:
http://dx.doi.org/10.1021/acs.jcim.4c02120