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Updated: Jan 16, 2026

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超越QSARs:用于增强药物毒性预测的定量知识-活动关系 (QKARs)

Ting Li1, Yanyan Qu1,2, Alexander Chen1

  • 1National Center for Toxicological Research, US Food and Drug Administration, Jefferson, AR 72079, United States.

Toxicological sciences : an official journal of the Society of Toxicology
|September 30, 2025
PubMed
概括

在预测药物毒性方面,定量知识-活动关系 (QKAR) 优于传统的定量结构-活动关系 (QSAR). QKAR利用领域知识,提高药物诱导的肝损伤和心脏毒性预测的准确性.

关键词:
新方法方法论 (NAMs)定量知识 活动关系 (QKARs)定量结构 活动关系 (QSARs)计算毒理学计算毒理学药物诱导的心脏毒性药物诱导的肝损伤是药物诱导的

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