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Updated: Jun 16, 2025

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虚拟结合增强图形自我监督学习用于分子性质预测

Yongna Yuan1, Zitian Lu1, Yuhan Li1

  • 1School of Information Science and Engineering, Lanzhou University, Lanzhou, China.

Journal of computational chemistry
|June 14, 2025
PubMed
概括

本研究介绍了VIBE-MPP,这是一个用于分子性质预测的新框架. 它通过虚拟债券增强了自我监督学习 (SSL),以捕捉弱相互作用,提高药物设计的准确性.

关键词:
人工智能的人工智能是人工智能.药物设计和发现.图表神经网络的神经网络自主监督学习学习

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