ReduMixDTI:用特征冗余减少和可解释的注意力机制预测药物向相互作用

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Updated: Jun 7, 2025

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Mingqing Liu1,2, Xuechun Meng1,2, Yiyang Mao1,2

  • 1National Engineering Laboratory for Brain-inspired Intelligence Technology and Application, School of Information Science and Technology, University of Science and Technology of China, Hefei 230026, Anhui, China.

Journal of chemical information and modeling
|November 21, 2024
PubMed
概括

ReduMixDTI通过减少冗余特征和捕获复杂的结合相互作用来增强药物发现,以准确预测药物向相互作用. 这种可解释的模型可以在现实场景中提高预测性能.

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