QSAR-QSIIR-based prediction of bioconcentration factor using machine learning and preliminary application.

Xu, Jia-Yun; Wang, Kun; Men, Shu-Hui; Yang, Yang; Zhou, Quan; Yan, Zhen-Guang

Xu, Jia-Yun; Wang, Kun; Men, Shu-Hui; Yang, Yang; Zhou, Quan; Yan, Zhen-Guang.

Afiliação

Xu JY; State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
Wang K; National Engineering Laboratory for Lake Pollution Control and Ecological Restoration, State Environment Protection Key Laboratory for Lake Pollution Control, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
Men SH; State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
Yang Y; China Energy Longyuan Environmental Protection Co.,Ltd., Beijing 100039, China.
Zhou Q; State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
Yan ZG; State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China. Electronic address: zgyan@craes.org.cn.

Environ Int ; 177: 108003, 2023 07.

Article em En | MEDLINE | ID: mdl-37276762

Assuntos

Poluentes Ambientais; Relação Quantitativa Estrutura-Atividade; Humanos; Bioacumulação; Algoritmos; Aprendizado de Máquina

Palavras-chave

BTEX; Bioconcentration factor; Machine learning; QSAR-QSIIR model; Water quality criteria

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Relação Quantitativa Estrutura-Atividade / Poluentes Ambientais Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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