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Updated: Jun 28, 2025

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计算化学:预测目标合成化合物的化合物可访问性

Visagamoorthy Babu1, Sumeer Ahmed2, A K Rahiman2

  • 1Research & Development Centre, BharathiarUniversity, Coimbatore, India.

Medicinal chemistry (Shariqah (United Arab Emirates))
|April 19, 2024
PubMed
概括

新型的皮里丁碳胺显示出作为药物候选人的前景. 密度功能理论 (DFT) 和计算分析证实了它们的生物活性,无毒性和类似药物的特性,其中化合物3h表现出卓越的有效性.

关键词:
碳胺化物 碳胺化物计算化学的计算化学密度函数理论 (DFT) 是一种密度函数理论.在POM (Petra/Orisiris/Molinspiration) 的作品中,我们可以看到药科位的识别方法.虚拟选是一个虚拟的选.

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