Analysis of longitudinal metabolomics data

Bioinformatics

Volumn 20, Issue 15, 2004, Pages 2438-2446

  Jansen, Jeroen J ^a   Hoefsloot, Huub C J ^a   Boelens, Hans F M ^a   van der Greef, Jan ^b,c   Smilde, Age K ^a,b  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

^b TNO   (Netherlands)

^c Beyond Genomics   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHM; ANALYTIC METHOD; ANALYTICAL ERROR; ARTICLE; COMPUTER PROGRAM; CONTROLLED STUDY; FEMALE; MALE; MATHEMATICAL COMPUTING; METABOLIC REGULATION; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; RHESUS MONKEY; SCORING SYSTEM; URINALYSIS;

EID: 4644291010     PISSN: 13674803     EISSN: 13674811     Source Type: Journal    
DOI: 10.1093/bioinformatics/bth268     Document Type: Article

References (24)

1. Andrews,D.T. and Wentzell,P.D. (1997) Applications of maximum likelihood principal component analysis: incomplete data sets and calibration transfer. Anal. Chim. Acta, 350, 341-352.
2. Bro,R. and Smilde,A.K. (2003) Centering and scaling in component analysis. J. Chemometr., 17, 16-33.
3. Bro,R., Smilde,A.K. and Sidiropoulos,N.D. (2002) Maximum likelihood fitting using ordinary least squares algorithms. J. Chemometr., 16, 387-400.
4. Gabriel,K.R. (1978) Least squares approximation of matrices by additive and multiplicative models. J. R. Stat. Soc. B, 40 186-196.
5. Gabriel,K.R. and Zamir,S. (1979) Lower rank approximation of matrices by least squares with any choice of weights. Technometrics 21, 489-498.
6. Glass,L. and Mackey,M.C. (1988) From Clocks to Chaos: "The Rythms of Life". Princeton University Press, Princeton.
7. Gower,J.C. (1995) Orthogonal and projection procrustes analysis. In Krzanowski,W.J. (ed.), Recent Advances in Descriptive Multivariate Analysis. Oxford University Press, Oxford, pp. 113-134.
8. Heijne,W.H., Stierum,R.H., Slijper,M., Van Bladeren,P.J. and Van Ommen,B. (2003) Toxicogenomics of bromobenzene hepatotoxicity: a combined transcriptomics and proteomics approach. Biochem. Pharmacol. 65, 857-875.
9. Heiser,W.J. (1995) Convergent computation by iterative majorization: theory and applications in multidimensional data analysis. In Krzanowski,W.J. (ed.), Recent Advances in Descriptive Multivariate Analysis. Oxford University Press, Oxford, pp. 157-189.
10. Holmes,E. and Antti,H. (2002) Chemometric contributions to the evolution of metabonomics: mathematical solutions to characterising and interpreting complex biological NMR Spectra. The Analyst, 12 1549-1557.
11. 1H nuclear magnetic resonance spectra of human urine from normal and pathological states. Anal. Biochem., 220 284-296.
12. Jackson,J.E. (1991) A User's Guide to Principal Components. Wiley-Interscience, New York.
13. Jolliffe,I.T. (2002) Principal Component Analysis. Springer-Verlag, New York.
14. Kiers,H.A.L. (1997) Weighted least squares fitting using ordinary least squares algorithms. Psychometrika, 62, 251-266.
15. Kruskal,J.B. (1977) Some least squares theorems for matrices and N-way arrays. Manuscript, Bell laboratories, Murray Hill, NJ.
16. McCullaugh,P. and Nelder,J.A. (1989) The components of a generalized model. In Generalized Linear Models. Chapman and Hall. London, New York, pp. 21-47.
17. Paatero,P. and Tapper,U. (1993) Analysis of different modes of factor analysis as least squares problems. Chemometr. Intell. Lab. 18, 183-194.
18. Tas,A.C., van den Berg,H., Odink,J., Korthals,H., Thissen,J.T.N.M., and van der Greef,J. (1989) Direcht chemical ionization - mass spectrometric profiling in premenstrual syndrome. J. Pharmaceut. Biomed., 7, 1239-1247.
19. Taylor,J., King,R.D., Altmann,T. and Fiehn,O. (2002) Application of metabolomics to plant genotype discrimination using statistics and machine learning. Bioinformatics, 18, S241-S248.
20. Timmerman,M.E. (2001) Component analysis of multisubject multivariate longitudinal data. Thesis, Rijksuniversiteit Groningen, pp. 70-71.
21. van der Greef,J., Davidov,E., Verheij,E.R., van der Heijden,R., Adourian,A.S., Oresic,M., Marple,E.W. and Naylor,S. (2003) The role of metabolomics in system biology. In Harrigan,G.G. and Goodacre,R. (eds), Metabolic Profiling: Its role in Biomarker Discovery and Gene Function Analysis. Kluwer Academic Publishers, Boston, Dordrecht, London, pp. 170-198.
22. Vandeginste,B.G.M., Massart,D.L., Buydens,L.M.C., De Jong,S., Lewi,P.J. and Smeyers-Verbeke,J. (1998) Handbook of Chemometrics and Qualimetrics: Part B. Elsevier Science, Amsterdam.
23. Vogels,J.T.W.E., Tas,A.C., Venekamp,J. and van der Greef,J. (1996) Partial linear fit: a new NMR spectroscopy preprocessing tool for pattern recognition applications. J. Chemometr., 10, 425-438.
24. Wentzell,P.D., Andrews,D.T., Hamilton,D.C., Faber,K. and Kowalski,B.R. (1997) Maximum likelihood principal component analysis. J. Chemometr., 11, 339-366.