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Updated: Jun 14, 2025

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
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Published on: August 28, 2019

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选择分子描述物的新程序:QSAR模型用于酸芳香化合物的突变性

Branislav Stankovic1, Filip Marinkovic2

  • 1Department for Nuclear and Plasma Physics, Vinča Institute of Nuclear Sciences -National Institute of the Republic of Serbia, University of Belgrade, Belgrade, Serbia. branislav.stankovic@vin.bg.ac.rs.

Environmental science and pollution research international
|August 29, 2024
PubMed
概括

计算化学模型预测了酸芳香化合物 (NAC) 的突变性. 选择分子描述物的新方法优于遗传算法,使可靠的NAC毒性评估成为可能.

关键词:
功能选择 功能选择机器学习 机器学习致变性 致变性 致变性亚酸芳香化合物 亚酸芳香化合物在QSAR中使用QSAR.量子化学计算 量子化学计算

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