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Updated: Jan 13, 2026

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DiffMeta-RL:强化学习指导图谱扩散用于代谢稳定的分子生成

Dayan Liu1,2, Tao Song1,2, Shuang Wang1,2

  • 1College of Computer Science and Technology, China University of Petroleum (East China), Qingdao 266580, Shandong, China.

Journal of chemical information and modeling
|October 29, 2025
PubMed
概括

研究人员开发了DiffMeta-RL,一种新的AI模型,通过减少细胞染色体P450 (CYP450) 酶相互作用来优化药物代谢稳定性. 这种方法通过提高生物可用性和减少临床失败来增强药物发现.

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