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Comparison of PLSR, MCR-ALS and Kernel-PLSR for the quantification of allergenic fragrance compounds in complex cosmetic products based on nonlinear 2D GC-IMS data

Rebecca Brendel, Sebastian Schwolow, Sascha Rohn, Philipp Weller

2020Chemometrics and Intelligent Laboratory Systems32 citationsDOI

Topics & Concepts

Partial least squares regressionChemistryChemometricsChromatographyAnalyteMultivariate statisticsKernel (algebra)MathematicsStatisticsCombinatoricsAnalytical Chemistry and ChromatographyAdvanced Chemical Sensor TechnologiesMetabolomics and Mass Spectrometry Studies
Comparison of PLSR, MCR-ALS and Kernel-PLSR for the quantification of allergenic fragrance compounds in complex cosmetic products based on nonlinear 2D GC-IMS data | Litcius