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Machine learning-based prediction of toxicity of organic compounds towards fathead minnow

Predicting the acute toxicity of a large dataset of diverse chemicals against fathead minnows (Pimephales promelas) is challenging. In this paper, 963 organic compounds with acute toxicity towards fathead minnows were split into a training set (482 compounds) and a test set (481 compounds) with an a...

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Detalles Bibliográficos
Autores principales: Chen, Xingmei, Dang, Limin, Yang, Hai, Huang, Xianwei, Yu, Xinliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056962/
https://www.ncbi.nlm.nih.gov/pubmed/35517078
http://dx.doi.org/10.1039/d0ra05906d