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DynHeter-DTA:用于药物标结合亲和力预测的动态异质图表表示

Changli Li1, Guangyue Li1

  • 1School of Artificial Intelligence, Nanjing University of Information Science & Technology, Nanjing 210044, China.

International journal of molecular sciences
|February 13, 2025
PubMed
概括

这项研究引入了DynHeter-DTA,这是一种用于药物向亲和力 (DTA) 预测的新型模型. 它通过使用动态异质图来更好地捕捉复杂的相互作用来改善药物发现.

关键词:
药物标绑定预测的预测图形神经网络的神经网络图表表示学习学习学习图表表示学习不同质的图形是不同的图形.

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