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Updated: Jun 21, 2025

Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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Published on: May 9, 2025

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开发和评估对量化结构与活动关系的合规预测方法.

Yuting Xu1, Andy Liaw1, Robert P Sheridan2

  • 1Early Development Statistics, Merck & Co., Inc., Rahway, New Jersey 07065, United States.

ACS omega
|July 15, 2024
PubMed
概括

本研究介绍了用于定量结构-活动关系 (QSAR) 建模的高效符合性预测 (CP) 算法. 这些方法为机器学习模型提供可靠的预测间隔,增强QSAR预测.

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