A Specialized and Enhanced Deep Generation Model for Active Molecular Design Targeting Kinases Guided by Affinity Prediction Models and Reinforcement Learning

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journal：Journal of Chemical Information and Modeling

Authors：Xiaomeng Liu; Qin Li; Xiao Yan; Lingling Wang; Jiayue Qiu; Xiaojun Yao; Huanxiang Liu

Published date：2025-4-14

DOI：10.1021/acs.jcim.5c00074

PDF link：https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5c00074

Article link：https://doi.org/10.1021/acs.jcim.5c00074

Article Source：American Chemical Society (ACS)。

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