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Updated: Sep 8, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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一个基于神经网络的稳健和可解释的图谱协议,用于预测p-glycoprotein基底

Kuang-Cheng Hsu1, Pei-Hua Wang2, Bo-Han Su3

  • 1Department of Computer Science and Information Engineering, National Taiwan University, No. 1, Sec. 4, Roosevelt Rd., Da'an Dist., Taipei City 106319, Taiwan.

Briefings in bioinformatics
|August 3, 2025
PubMed
概括

这项研究引入了一个图形神经网络模型来预测P-glycoprotein (P-gp) 基质,这对药物开发至关重要. 该模型准确地识别了与P-gp相互作用的药物分子,有助于评估中枢神经系统透率.

关键词:
P-葡萄糖蛋白 (P-gp) 是一种蛋白质.注意力机制注意力机制深度学习是一种深度学习.可解释的人工智能 (XAI)图形神经网络 (GNN) 是一个图形神经网络.集成梯度 (IG) 是指集成的梯度 (IG) 是指集成的梯度.

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