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Updated: Feb 28, 2026

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在生成分子设计中绕过合成性问题

Jesse A Weller, Jinsen Li, Yibei Jiang

    bioRxiv : the preprint server for biology
    |February 27, 2026
    PubMed
    概括

    基于生成结构的药物设计 (SBDD) 模型现在可以找到可合成的候选药物. 一个新的模型引导虚拟选 (MGVS) 管道有效地识别来自大型数据库的实用类型.

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