Bioinformatic methods in NMR-based metabolic profiling

Article ID	Journal	Published Year	Pages	File Type
5419708	Progress in Nuclear Magnetic Resonance Spectroscopy	2009	14 Pages	PDF

Keywords

statistical total correlation spectroscopy STOCSY KNN HSQC PLS-DA PLS J-resolved k-nearest neighbour PCA Genetic algorithm Pattern recognition Genetic programming Bioinformatics Principal components analysis partial least squares-discriminant analysis Partial least squares DIGE Statistical methods Mass spectrometry SVM Support vector machine Metabolomics Metabonomics Modelling Metabolic profiling liquid chromatography SHy orthogonal partial least squares Machine learning heteronuclear single quantum coherence

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

Bioinformatic methods in NMR-based metabolic profiling

Authors

Timothy M.D. Ebbels, Rachel Cavill,