Synthetically Feasible De Novo Molecular Design of Leads Based on a Reinforcement Learning Model: AI-Assisted Discovery of an Anti-IBD Lead Targeting CXCR4

Xiaoying Jiang, Renren Bai(Hangzhou Normal University), Bin Ju(Southern University of Science and Technology), Shengbin Zhou(University of Chinese Academy of Sciences), Zhen Li(Tongji Hospital), Junjie Li(Hangzhou Normal University), Jiahui Wang(Hangzhou Normal University), Hao Wen(Xinjiang Medical University), Jiapeng Zhang(University of Chinese Academy of Sciences), Liuxin Lu(Hangzhou Normal University), Jing Jiang, Xinyu Luo(Hangzhou Normal University), Hong Cai(Institute of Microelectronics)
Journal of Medicinal Chemistry
June 12, 2024
Cited by 15


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