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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...
Autores principales: | , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2020
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Materias: | |
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 |