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Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity

ABSTRACT: Cheminformatics datasets used in classification problems, especially those related to biological or physicochemical properties, are often imbalanced. This presents a major challenge in development of in silico prediction models, as the traditional machine learning algorithms are known to w...

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Detalhes bibliográficos
Publicado no:J Comput Aided Mol Des
Main Authors: Jain, Sankalp, Kotsampasakou, Eleni, Ecker, Gerhard F.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5919997/
https://ncbi.nlm.nih.gov/pubmed/29626291
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-018-0116-z
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