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Structure–activity relationship-based chemical classification of highly imbalanced Tox21 datasets

The specificity of toxicant-target biomolecule interactions lends to the very imbalanced nature of many toxicity datasets, causing poor performance in Structure–Activity Relationship (SAR)-based chemical classification. Undersampling and oversampling are representative techniques for handling such a...

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Detalles Bibliográficos
Autores principales:	Idakwo, Gabriel, Thangapandian, Sundar, Luttrell, Joseph, Li, Yan, Wang, Nan, Zhou, Zhaoxian, Hong, Huixiao, Yang, Bei, Zhang, Chaoyang, Gong, Ping
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2020
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7592558/ https://www.ncbi.nlm.nih.gov/pubmed/33372637 http://dx.doi.org/10.1186/s13321-020-00468-x

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