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Updated: Jun 5, 2025

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3DSMILES-GPT:基于3D分子口袋生成,仅使用代币的大型语言模型

Jike Wang1, Hao Luo1, Rui Qin1

  • 1College of Pharmaceutical Sciences, Zhejiang University Hangzhou 310058 Zhejiang China yukang@zju.edu.cn tingjunhou@zju.edu.cn kimhsieh@zju.edu.cn.

Chemical science
|December 12, 2024
PubMed
概括

3DSMILES-GPT是一种新型语言模型,用于药物发现生成3D分子,克服现有方法的局限性. 它迅速产生高质量,有效和可合成的分子,具有更好的药物相似性和结合亲和力.

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