ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learning.
Wang M, Li S, Wang J, Zhang O, Du H, Jiang D, Wu Z, Deng Y, Kang Y, Pan P, Li D, Wang X, Yao X, Hou T, Hsieh CY.
Wang M, et al. Among authors: li s, li d.
Nat Commun. 2024 Nov 22;15(1):10127. doi: 10.1038/s41467-024-54456-y.
Nat Commun. 2024.
PMID: 39578485
Free PMC article.