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Updated: May 12, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors

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改进的QSAR方法用于利用拓指数和机器学习模型预测药物特性.

Muhammad Shoaib Sardar1, Muhammad Shahid Iqbal2, Muhammad Mudassar Hassan3

  • 1College of Mathematical Sciences, Harbin Engineering University, Harbin, People's Republic of China.

The European physical journal. E, Soft matter
|May 9, 2025
PubMed
概括

这项研究使用定量结构-活性关系 (QSAR) 分析和机器学习来预测化合物特性,如分子重量. 里奇和拉索回归模型表现出色,展示了针对药物发现的优化QSAR的力量.

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