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Updated: Sep 11, 2025

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基于结构的代谢物功能预测使用图形神经网络

Tancredi Cogne1, Mariam Ait Oumelloul1,2, Ali Saadat1,2

  • 1School of Life Sciences, Ecole Polytechnique Fédérale de Lausanne, Lausanne, 1015, Switzerland.

Bioinformatics advances
|August 13, 2025
PubMed
概括

从结构中预测代谢物的功能对生物学和医学至关重要. 一个新的图表注意力网络模型准确地预测了多个代谢物功能,识别了结构-功能关系,以获得更好的药物发现和系统生物学见解.

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