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Updated: Jul 11, 2025

Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow
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Identifying Per- and Polyfluorinated Chemical Species with a Combined Targeted and Non-Targeted-Screening High-Resolution Mass Spectrometry Workflow

Published on: April 18, 2019

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使用机器学习模型预测素物种和微量有机污染物的反应动态

Jingyi Zhu1, Yuanxi Huang1, Qihang Yi2

  • 1Hunan Engineering Research Center of Water Security Technology and Application, College of Civil Engineering, Hunan University, Changsha, 410082, PR China.

Chemosphere
|November 10, 2023
PubMed
概括

机器学习模型预测素物种和微量有机污染物的反应速率 (k) 值. 这些模型使用分子描述符和指纹准确估计未知的k值,帮助机械学理解.

关键词:
机器学习 机器学习在QSAR中使用QSAR.有反应性的素物种.这就是 SHAP SHAP 的意思.第二阶段的利率常数是指第二阶段的利率常数.

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