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
Topics & Concepts
Partial least squares regressionChemistryChemometricsChromatographyAnalyteMultivariate statisticsKernel (algebra)MathematicsStatisticsCombinatoricsAnalytical Chemistry and ChromatographyAdvanced Chemical Sensor TechnologiesMetabolomics and Mass Spectrometry Studies