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In silico prediction of pesticide aquatic toxicity with chemical category approaches

Aquatic toxicity is an important issue in pesticide development. In this study, using nine molecular fingerprints to describe pesticides, binary and ternary classification models were constructed to predict aquatic toxicity of pesticides via six machine learning methods: Naïve Bayes (NB), Artificial...

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Detalhes bibliográficos
Publicado no:Toxicol Res (Camb)
Main Authors: Li, Fuxing, Fan, Defang, Wang, Hao, Yang, Hongbin, Li, Weihua, Tang, Yun, Liu, Guixia
Formato: Artigo
Idioma:Inglês
Publicado em: Royal Society of Chemistry 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6062408/
https://ncbi.nlm.nih.gov/pubmed/30090546
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7tx00144d
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