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Updated: Jul 11, 2025

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探索机器学习设计抗糖尿病分子的潜力:一项具有实验验证的综合研究

Vinod Devaraji1, Jayanthi Sivaraman1

  • 1Computational Drug Design Lab, Department of Biotechnology, School of Bio Sciences and Technology, Vellore Institute of Technology, Vellore, Tamil Nadu, India.

Journal of biomolecular structure & dynamics
|November 8, 2023
PubMed
概括

机器学习有效地设计了新的小分子作为糖尿病治疗的α-氨酶抑制剂. 有前途的化合物ALC5和ALC6表现出显著的生物活性,验证了这种数据驱动的治疗方法.

关键词:
抗糖尿病药物 抗糖尿病药物阿尔法-氨酸酶的使用.发现药物的发现.整体机器学习的机器学习.分子动力学分子动力学

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