Author name: Jingke Chen, Jingrui Zhong, Tazneen Hossain Tani, Zidong Su, Xiaochun Zhang, Boxue Tian

arXiv:2604.16550v1 Announce Type: new
Abstract: Despite the high accuracy of ‘black box’ deep learning models, drug discovery still relies on protein-ligand interaction principles and heuristics. To improve interpretability of protein-small molecule b…