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基于机器学习的HIV-1蛋白酶生物活性预测:来自电子密度分析的见解

Vladislav Naumovich1, Shivananda Kandagalla2, Maria Grishina1

  • 1Laboratory of Computational Modeling of Drugs, Higher Medical & Biological School, South Ural State University, Chelyabinsk, 454008, Russia.

Future medicinal chemistry
|November 13, 2024
PubMed
概括

这项研究开发了一个机器学习模型来预测HIV-1蛋白酶抑制剂活性. 确定的关键因素包括电子密度,结合,以及影响酶抑制的氨基酸残留.

关键词:
艾滋病病毒-1蛋白酶活动活动活动活动活动活动.关键点关键点关键点关键点电子密度 的电子密度.阻抗常数是一种阻抗常数.机器学习是机器学习.原子的量子理论是原子的量子理论.

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