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Updated: Jun 21, 2025

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药物测量:基于化学空间距离的定量药物相似度评分

Bowen Li1, Zhen Wang1,2, Ziqi Liu1,3

  • 1Hangzhou Institute of Medicine, Chinese Academy of Sciences, Hangzhou, 310018 Zhejiang, China.

Briefings in bioinformatics
|July 8, 2024
PubMed
概括

新的无监督学习框架DrugMetric通过使用化学空间距离准确评估分子药物相似性来增强药物发现. 这种人工智能工具加速了虚拟选,优于传统方法.

关键词:
化学空间 化学空间深度学习是一种深度学习.类似于药物的情况.没有监督的学习学习.

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