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Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
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通过MMPDB和REINVENT4生成的分子与药物发现设计团队的想法进行比较

Shan Sun1, David J Huggins1,2

  • 1Sanders Tri-Institutional Therapeutics Discovery Institute, New York, New York 10021, United States.

Journal of chemical information and modeling
|April 10, 2025
PubMed
概括

计算工具MMPDB和REINVENT4扩大了药物发现中探索的化学空间,补充了人类的专业知识. 这些生成分子设计方法加速了新型治疗候选者的识别.

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