通过混合图形神经网络对p53抑制剂药物向相互作用进行AI驱动的IC50预测

Walaa H El-Masry1,2, Samar Monem3,4, Nagy Ramadan Darwish5

  • 1Information Systems and Technology Department, Faculty of Graduate Studies for Statistical Research, Cairo University, Giza, Egypt. w.elmasry@fci-cu.edu.eg.

概括

一个新的混合药物向相互作用IC50 (HDTI-IC50) 模型使用图形卷积网络和图形注意网络来预测p53抑制剂的疗效. 这种人工智能驱动的方法通过准确预测针对p53蛋白的IC50值来增强药物发现.

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