====== References ====== * **Bylesjö1. Max et al. (2008)** * K-OPLS package: Kernel-based orthogonal projections to latent structures for prediction and interpretation in feature space, BMC Bioinformatics 9:106 doi:10.1186/1471-2105-9-106 [[http://www.biomedcentral.com/1471-2105/9/106|URL]] * **Brown M. et al. (2005)**. * A metabolome pipeline: from concept to data to knowledge. Metabolomics, 1:39-51 [[http://link.springer.com/article/10.1007%2Fs11306-005-1106-4|URL]] * **Harrington P.B. et al. (2005)**. * Analysis of Variance-Principal Component Analysis: A Soft Tool for Proteomic Discovery. Analytica Chimica Acta, 544:118-127. [[http://www.sciencedirect.com/science/article/pii/S0003267005002692|URL]] * **Krumsiek J. et al. (2011)**. * Gaussian graphical modeling reconstructs pathway reactions from high-throughput metabolomics data. BMC Systems Biology, 5:21 [[http://www.biomedcentral.com/1752-0509/5/21|URL]] * **Pedreschi R. et al. (2008)**. * Treatment of missing values for multivariate statistical analysis of gel-based proteomics data. Proteomics, 8:1371-1383 [[http://www.ncbi.nlm.nih.gov/pubmed/18383008|PubMed]] * **Rutledge D.N. et al. (2013)**. * Independent Components Analysis with the JADE algorithm. TrAC Trends in Analytical Chemistry, 50:22-32 [[http://www.sciencedirect.com/science/article/pii/S0165993613001222|URL]] * **Saccenti E. et al. (2014)**. * Reflections on univariate and multivariate analysis of metabolomics data. Metabolomics, 10:361-374 (Review) [[http://link.springer.com/article/10.1007%2Fs11306-013-0598-6|URL]] * **Schäfer J. and Strimmer K. (2005)**. * A shrinkage approach to large-scale covariance matrix estimation and implications for functional genomics. Statist. Appl. Genet. Mol. Biol. 4:32 [[http://www.ncbi.nlm.nih.gov/pubmed/16646851|PubMed]] * **Scholz M. et al. (2004)** * Metabolite fingerprinting: detecting biological features by independent component analysis. Bioinformatics, 20:2447-2454 [[http://bioinformatics.oxfordjournals.org/content/20/15/2447|URL]] * **Smilde K. et al. (2005)**. * ANOVA-simultaneous component analysis (ASCA): a new tool for analyzing designed metabolomics data. Bioinformatics, 21(13):3043-3048, [[http://bioinformatics.oxfordjournals.org/content/21/13/3043.short|URL]] * **Stacklies W. et al. (2007)**. * pcaMethods - a bioconductor package providing PCA methods for incomplete data. Bioinformatics, Applications Note, 23:1164-1167 [[http://bioinformatics.oxfordjournals.org/content/23/9/1164.short|URL]] * **Steinfath M. et al. (2008)**. * Metabolite profile analysis: from raw data to regression and classification. Plysiologia Plantarum, 132:150-161 (Review) [[http://www.ncbi.nlm.nih.gov/pubmed/18251857|PubMed]] * **Svensson O. et al (2002)** * An investigation of OSC algorithms and their characteristics, Journal of Chemometrics Volume 16, Issue 4 [[http://onlinelibrary.wiley.com/doi/10.1002/cem.700/pdf|PDF]] * **Tai Y. and Speed P. (2006)**. * A multivariate empirical Bayes statistic for replicated microarray time course data. Ann. Statist. 34(5):2387-2412 [[http://projecteuclid.org/euclid.aos/1169571801|URL]] * **Trygg J. et al. (2006)**. * Chemometrics in Metabolomics. Journal of Proteome Reseach, 6, 469-479 (Review) [[http://pubs.acs.org/doi/abs/10.1021/pr060594q|URL]] * **Van den Berg R. et al. (2006)**. * Centering, scaling, and transformations: improving the biological information content of metabolomics data. BMC Genomics, 7:142 [[http://www.biomedcentral.com/1471-2164/7/142|URL]] * **Wehrens R. (2011)**. * Chemometrics with R: Multivariate Data Analysis in the Natural Sciences and Life Sciences, Ed Springer-Verlag Berlin Heidelberg, [[http://link.springer.com/book/10.1007%2F978-3-642-17841-2|URL]] \\ * **Chemometrics in Metabonomics and Metabolomics**, * http://chemometrics.se/2007/03/05/chemometrics-in-metabonomics-and-metabolomics/ * **Statistics - Wikipedia, the free encyclopedia**, * http://en.wikipedia.org/wiki/Statistics * **Handbook of Biological Statistics: Introduction**, * http://www.biostathandbook.com/