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Updated: Feb 11, 2026

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大型语言模型代理用于药物发现中的模块化任务执行

Janghoon Ock1,2, Radheesh Sharma Meda1, Srivathsan Badrinarayanan1

  • 1Department of Chemical Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, Pennsylvania 15213, United States.

Journal of chemical information and modeling
|February 9, 2026
PubMed
概括

本研究引入了一个模块化框架,使用大语言模型 (LLM) 来自动化早期的计算药物发现. 人工智能简化了从数据检索到3D结构生成的任务,加速了治疗发现.

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