Improving drug discovery with a hybrid deep generative model using reinforcement learning trained on a Bayesian docking approximation.
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| Title: | Improving drug discovery with a hybrid deep generative model using reinforcement learning trained on a Bayesian docking approximation. |
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| Authors: | Xiong, Youjin1, Wang, Yiqing1,2, Wang, Yisheng1, Li, Chenmei1, Yusong, Peng1, Wu, Junyu2, Gu, Lingyun3, gu_lingyun@icekredit.com, Butch, Christopher J.1, chrisbutch@nju.edu.cn |
| Source: | Journal of Computer-Aided Molecular Design; Nov2023, Vol. 37 Issue 11, p507-517, 11p |
| Database: | Applied Science & Technology Source |
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| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-023-00523-3 |
