Skip to main content Accessibility help
  • Print publication year: 2013
  • Online publication date: January 2013

12 - Chemometric Methods in Nuclear Magnetic Resonance–Based Body Fluid Analysis

from Section 3 - Metabolomics of Biofluids: Nuclear Magnetic Resonance Spectroscopy and Chemometrics

Related content

Powered by UNSILO


1. J.E. Jackson. A User's Guide to Principal Components. Wiley, Chichester, 1991.
2. I.T. Jolliffe. Principal Component Analysis. Springer, New York, 1986.
3. H. Martens and T. Naes. Multivariate Calibration. Wiley, Chichester, 1989.
4. G.J. McLachlan. Discriminant Analysis and Statistical Pattern Recognition. Wiley-Interscience, New York, 2004.
5. R.A. Fisher. The use of multiple measurements in taxonomic problems. Annals of Eugenics, 7:179–188, 1936.
6. T. Hastie, R. Tibshirani, and J. Friedman. The Elements of Statistical Learning. Springer Series in Statistics. Springer, New York, 2001.
7. S. de Jong. SIMPLS: an alternative approach to partial least squares regression. Chemom. Intell. Lab. Syst., 18:251–263, 1993.
8. M. Barker and W. Rayens. Partial least squares for discrimination. J. Chemom., 17:166–173, 2003.
9. B.-H. Mevik and R. Wehrens. The pis package: principal component and partial least squares regression in R. J. Stat. Soft., 18(2), 2007.
10. W. Wu, M. Daszykowski, B. Walczak, B.C. Sweatman, S.C. Connor, J.N. Haselden, D.J. Crowther, R.W. Gill, and M.W. Lutz. Peak alignment of urine NMR spectra using fuzzy warping. J. Chem. Inf. Model., 46:863–875, 2006.
11. P.E. Anderson, D.A. Mahle, T.E. Doom, N.V. Reo, N.J. DelRaso, and M.L. Raymer. Dynamic adaptive binning: an improved quantification technique for NMR spectroscopic data. Metabolomics, 7:179–190, 2010.
12. M. Stone. Cross-validatory choice and assessment of statistical predictions. J. R. Statist. Soc. B, 36:111–147, 1974.
13. B. Efron and R.J. Tibshirani. An Introduction to the Bootstrap. Chapman & Hall, New York, 1993.
14. A.C. Davison and D.V. Hinkley. Bootstrap Methods and their Applications. Cambridge University Press, Cambridge, 1997.
15. R. Wehrens, H. Putter, and L.M.C. Buydens. The bootstrap: a tutorial. Chemom. Intell. Lab. Syst., 54(l):35–52, 2000.
16. K. Varmuza and P. Filzmoser. Introduction to Multivariate Statistical Analysis in Chemometrics. Taylor & Francis–CRC Press, Boca Raton, 2009.
17. R. Wehrens. Chemometrics with R: Multivariate Data Analysis in the Natural Sciences and Life Sciences. Use R! Series. Springer, New York, 2011.