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Updated: Jan 10, 2026

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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和多基基物质与雌激素受体结合的分子决定因素

Sahith Mada1, Samuel Jordan1, Joshua Mathew1

  • 1College of Computer, Mathematical, and Natural Sciences, University of Maryland, College Park, MD 20742, USA.

Toxics
|November 27, 2025
PubMed
概括

这项研究开发了预测模型,以了解PER和多醇基物质 (PFAS) 如何与雌激素受体结合. 研究确定了影响这种结合的关键化学特征,为评估PFAS相互作用提供了可扩展的方法.

关键词:
在PFAS中,有很多方法.在QSPR和QSAR建模中.结合性亲和力是一种结合性亲和力.内分泌干扰 干扰内分泌系统雌激素受体的受体是雌激素受体.疏水性相互作用 疏水性相互作用分子对接的分子对接.

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