A tutorial review: Metabolomics and partial least squares-discriminant analysis--a marriage of convenience or a shotgun wedding.

作者: Piotr S. Gromski , Howbeer Muhamadali , David I. Ellis , Yun Xu , Elon Correa

DOI: 10.1016/J.ACA.2015.02.012

关键词: Random forestSupervised learningMachine learningLinear discriminant analysisFeature selectionChemistrySupport vector machinePrincipal (computer security)StatisticsCalibration (statistics)Partial least squares regressionArtificial intelligence

摘要: … The predominance of partial least squares-discriminant analysis (PLS-DA) used to analyze metabolomics datasets (indeed, it is the most well-known tool to perform classification and …

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