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Updated: Jul 6, 2025

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可解释的人工智能辅助虚拟查和生物信息学方法,以有效地预测使用PubChem分子指纹的烯酸环氧化酶-2 (COX-2) 抑制剂的生物活性

Mithun Rudrapal1, Kevser Kübra Kirboga2,3, Mohnad Abdalla4

  • 1Department of Pharmaceutical Sciences, School of Biotechnology and Pharmaceutical Sciences, Vignan's Foundation for Science, Technology & Research (Deemed to Be University), Guntur, 522213, India. rsmrpal@gmail.com.

Molecular diversity
|January 10, 2024
PubMed
概括

机器学习确定了设计有效的环氧化酶-2 (COX-2) 抑制剂的关键分子特性. 联体339,222显示出高稳定性和治疗炎症和疼痛的临床潜力.

关键词:
COX-2 抑制剂的使用循环氧基因酶-2 的作用.可解释的人工智能分子动力学分子动力学莎普利的解释 莎普利的解释

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