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Updated: Jan 17, 2026

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FG-DDI:用于药物相互作用预测的功能组意识图形神经网络

Fangyu Zhou1, Shahadat Uddin1

  • 1School of Electrical and Computer Engineering, Faculty of Engineering, University of Sydney, Sydney, 2006, NSW, Australia.

Journal of biomedical informatics
|January 14, 2026
PubMed
概括

这项研究通过将功能组 (FG) 的知识整合到图形神经网络 (GNN) 中,提高了药物相互作用 (DDI) 的预测. FG-DDI模型提高了未见药物组合的预测准确性和概括性.

关键词:
药物相互作用 药物相互作用功能组是指功能组中的功能组.图形神经网络是一个神经网络.分子表示学习学习分子表示学习.

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