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Updated: May 17, 2025

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DockTox:通过分子对接来准器官毒性的分子启动事件

Rita Ortega-Vallbona1, David Talavera-Cortés1, Laureano E Carpio2

  • 1ProtoQSAR SL, Parque Tecnológico de Valencia, Paterna, Spain.

Toxicology
|April 19, 2025
PubMed
概括

DockTox工具自动化了对蛋白质的化学对接,在没有动物测试的情况下预测毒性. 它的相互作用分量度量增强了对分子相互作用的理解,以便更安全地进行化学评估.

关键词:
负面结果路径 (AOPs)自动化对接工作流程连带蛋白相互作用分析.分子发起事件 (MIE) 是指分子发起事件.

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