MetaReact: A Reaction-Aware Transformer for End-to-End Prediction of Drug Metabolism
Yitian Wang, Jingxin Rao, Wei Zhang, Yuqi Shi, Chuanlong Zeng, Rongrong Cui, Yinquan Wang, Jiacheng Xiong, Xutong Li, Mingyue Zheng
MetaReact predicts drug metabolites and enzyme selectivity using a reaction-aware Transformer, outperforming existing methods in accuracy and generalizability.
bioRxiv · Mar 18, 2026 · PreprintBiochemistry