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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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Vydáno v:Molecules
Hlavní autoři: Rácz, Anita, Bajusz, Dávid, Héberger, Károly
Médium: Artigo
Jazyk:Inglês
Vydáno: MDPI 2019
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC6695655/
https://ncbi.nlm.nih.gov/pubmed/31374986
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24152811
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