A closed-loop reinforcement learning framework for rapid compound directed optimization
Han Wang, Dehua Lu, Weiping Lyu, Siyu Xiu, Cheng Shi, Xiaonan Zhou, Bin Xi, Wei Feng, Yang Xiao, Yanming Chen, Haixian Zhang, Qi Li, Bo Huang, Zhenming Liu
This paper introduces RCDO, a closed-loop reinforcement learning framework that accelerates compound optimization by integrating experimental feedback with generative models, achieving significant improvements in drug candidate properties.
bioRxiv · Aug 27, 2026 · PreprintBioinformatics