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Updated: Sep 14, 2025

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对主要CYP450异构体进行先进的ADMET预测:基于图形的模型,局限性和未来的方向.

Asmaa A Abdelwahab1, Mustafa A Elattar2, Sahar Ali Fawzi3

  • 1Center for Informatics Science (CIS), School of Information Technology and Computer Science, Nile University, Juhayna Square, 26th of July Corridor, El Sheikh Zayed, Giza, 12677, Egypt. aabdelwahab@nu.edu.eg.

Biomedical engineering online
|July 23, 2025
PubMed
概括

基于图形的计算方法,如图形神经网络 (GNN),通过改善对细胞染色体P450 (CYP) 酶代谢和ADMET特性的预测,正在彻底改变药物发现. 这些先进技术为更安全的药物开发提供了更高的准确性和可解释性.

关键词:
在ADMET预测预测.转基因酶 (CYP) 的酶.深度学习是一种深度学习.药物发现 药物发现图形嵌入式 图形嵌入式图形神经网络是一个神经网络.图形表示图形表示.机器学习 机器学习

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