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Multi-Level Comparison of Machine Learning Classifiers and Their Performance Metrics

Machine learning classification algorithms are widely used for the prediction and classification of the different properties of molecules such as toxicity or biological activity. The prediction of toxic vs. non-toxic molecules is important due to testing on living animals, which has ethical and cost...

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Detalles Bibliográficos
Autores principales: Rácz, Anita, Bajusz, Dávid, Héberger, Károly
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6695655/
https://www.ncbi.nlm.nih.gov/pubmed/31374986
http://dx.doi.org/10.3390/molecules24152811