Descriptive review of current NMR-based metabolomic data analysis packages

Article ID	Journal	Published Year	Pages	File Type
5419676	Progress in Nuclear Magnetic Resonance Spectroscopy	2011	8 Pages	PDF

Keywords

UPLC O-PLS SIMCA PLS KNN PLS-DA k-nearest neighbour PCA Capillary electrophoresis Pattern recognition MAS COPD Chronic obstructive pulmonary disease Principal components analysis partial least squares-discriminant analysis Linear discriminant analysis ion mobility Multivariate analysis LDA Partial least squares magic angle spinning FTIR Mass spectrometry NMR spectroscopy fourier transform infra-red Support vector machine SVM Metabolomics Metabonomics Soft independent modeling of class analogy Metabolic profiling Orthogonal projections to latent structures liquid chromatography high performance liquid chromatography Ultra-high-pressure liquid chromatography HPLC Gas chromatography Chemometrics

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Descriptive review of current NMR-based metabolomic data analysis packages

Authors

Jose L. Izquierdo-GarcÃa, Palmira Villa, Angelos Kyriazis, Laura del Puerto-Nevado, Sandra Pérez-Rial, Ignacio Rodriguez, Natalia Hernandez, Jesús Ruiz-Cabello,