Environmental toxicity risk evaluation of nitroaromatic compounds: Machine learning driven binary/multiple classification and design of safe alternatives.

Hao, Yuxing; Fan, Tengjiao; Sun, Guohui; Li, Feifan; Zhang, Na; Zhao, Lijiao; Zhong, Rugang

Hao, Yuxing; Fan, Tengjiao; Sun, Guohui; Li, Feifan; Zhang, Na; Zhao, Lijiao; Zhong, Rugang.

Afiliación

Hao Y; Beijing Key Laboratory of Environmental and Viral Oncology, Faculty of Environment and Life, Beijing University of Technology, Beijing, 100124, PR China; Sino-Danish College, University of Chinese Academy of Sciences, Beijing, 100190, China.
Fan T; Beijing Key Laboratory of Environmental and Viral Oncology, Faculty of Environment and Life, Beijing University of Technology, Beijing, 100124, PR China; Department of Medical Technology, Beijing Pharmaceutical University of Staff and Workers, Beijing, 100079, China.
Sun G; Beijing Key Laboratory of Environmental and Viral Oncology, Faculty of Environment and Life, Beijing University of Technology, Beijing, 100124, PR China. Electronic address: sunguohui@bjut.edu.cn.
Li F; Beijing Key Laboratory of Environmental and Viral Oncology, Faculty of Environment and Life, Beijing University of Technology, Beijing, 100124, PR China.
Zhang N; Beijing Key Laboratory of Environmental and Viral Oncology, Faculty of Environment and Life, Beijing University of Technology, Beijing, 100124, PR China.
Zhao L; Beijing Key Laboratory of Environmental and Viral Oncology, Faculty of Environment and Life, Beijing University of Technology, Beijing, 100124, PR China.
Zhong R; Beijing Key Laboratory of Environmental and Viral Oncology, Faculty of Environment and Life, Beijing University of Technology, Beijing, 100124, PR China.

Food Chem Toxicol ; 170: 113461, 2022 Dec.

Article en En | MEDLINE | ID: mdl-36243219

Asunto(s)

Contaminantes Ambientales; Aprendizaje Automático; Animales; Ratas; Algoritmos; Sustancias Peligrosas/toxicidad; Medición de Riesgo; Relación Estructura-Actividad Cuantitativa

Palabras clave

Acute oral toxicity; In silico prediction; Machine learning; Nitroaromatic compounds; Risk assessment; Structure activity relationship

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Contexto en salud: 15_ODS3_global_health_risks Problema de salud: 15_riscos_biologicos Asunto principal: Contaminantes Ambientales / Aprendizaje Automático Tipo de estudio: Etiology_studies / Prognostic_studies / Risk_factors_studies Límite: Animals Idioma: En Revista: Food Chem Toxicol Año: 2022 Tipo del documento: Article País de afiliación: China

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