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Updated: Apr 13, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
00:05

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox

Published on: August 28, 2019

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开发和实验验证3D QSAR模型用于查甲状腺过氧化酶抑制剂,使用计算化学的综合方法进行实验验证

Bharath Basavapattana Rudresh1, Abhishek Kumar Tater1, Vaibav Barot1

  • 1Jai Research Foundation, Valvada, Vapi, Gujarat, 396105, India.

Heliyon
|April 25, 2024
PubMed
概括

这项研究开发了一种计算模型,以识别抑制甲状腺过氧化酶 (TPO) 的甲状腺破坏性化学物质 (TDC). 该模型准确地预测了TPO抑制和选择性,为潜在的内分泌干扰者提供了更快的选方法.

关键词:
内分泌干扰物 干扰内分泌干扰物同性学建模的同性学模型.在实验室中对老鼠进行微小体检测.模拟MD的模拟方法分子对接是分子对接.在QSAR中使用QSAR.这就是TPO TPO TPO.

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