Improved analysis of multivariate data by variable stability scaling: Application to NMR-based metabolic profiling

Analytica Chimica Acta

Volumn 490, Issue 1-2, 2003, Pages 265-276

  Keun, Hector C ^a   Ebbels, Timothy M D ^a   Antti, Henrik ^a   Bollard, Mary E ^a   Beckonert, Olaf ^a   Holmes, Elaine ^a   Lindon, John C ^a   Nicholson, Jeremy K ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

Biofluid NMR; Coefficient of variation; Data pre processing; Metabolomics; Metabonomics; Orthogonal signal correction; Partial least squares discriminant analysis; Variable scaling; Variable stability

Indexed keywords

DATA REDUCTION; DATA STRUCTURES; METABOLISM;

DATA SETS;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

ACCURACY; ANALYTIC METHOD; ANIMAL EXPERIMENT; CONFERENCE PAPER; CONTROLLED STUDY; DATA ANALYSIS; EXPERIMENTAL MODEL; INTERMETHOD COMPARISON; MALE; METABOLISM; MULTIVARIATE ANALYSIS; NEPHRECTOMY; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; ORTHOGONAL SIGNAL CORRECTION; PARTIAL LEAST SQUARE DISCRIMINANT ANALYSIS; PREDICTION; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; RAT; REGRESSION ANALYSIS; URINALYSIS; VARIABLE STABILITY SCALING;

ANIMALIA;

EID: 0142102568     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0003-2670(03)00094-1     Document Type: Conference Paper

References (15)

1. J.E. Jackson, A User's Guide to Principal Components, Wiley, New York, 1991.
2. L. Eriksson, E. Johansson, H. Kettaneh-Wold, S. Wold, Introduction to Multi and Megavariate Analysis using Projection Methods (PCA and PLS), UMETRICS Inc., Umeå, 1999.
3. S. Wold, E. Johansson, M. Cocchi, in: H. Kubinyi (Ed.), 3D-QSAR in Drug Design: Theory, Methods and Applications, ESCOM Science, Ledien, 1993.
4. Hellberg S., Eriksson L., Jonsson J., Lindgren F., Sjöström M., Skagerberg B., Wold S., Andrews P. Int. J. Pept. Prot. Res. 37:1991;414-424.
5. Nicholson J.K., Connelly J., Lindon J.C., Holmes E. Nat. Rev. Drug. Disc. 1:2002;153-161.
6. Holmes E., Nicholson J.K., Nicholls A.W., Lindon J.C., Connor S.C., Polley S., Connelly J. Chemom. Int. Lab. Sys. 44:1998;245-255.
7. Holmes E., Nicholls A.W., Lindon J.C., Connor S.C., Connelly J.C., Haselden J.N., Damment S.J., Spraul M., Neidig P., Nicholson J.K. Chem. Res. Toxicol. 13:2000;471-478.
8. Holmes E., Nicholson J.K., Tranter G. Chem. Res. Toxicol. 14:2001;182-191.
9. Antti H., Bollard M.E., Ebbels T.M.D., Keun H., Lindon J.C., Nicholson J.K., Holmes E. J. Chemom. 16:2002;1-9.
10. Neild G.H., Foxall P.J.D., Lindon J.C., Holmes E., Nicholson J.K. Nephrol. Dial. Transpl. 12:1997;404-417.
11. Wold S., Antti H., Lindgren F., Öhman J. Chemom. Int. Lab. Sys. 44:1998;175-185.
12. J. Trygg, Parsimonious multivariate models, Doctoral Thesis, University of Umeå, 2001.
13. Beckwith-Hall B.M., Brindle J.T., Barton R.H., Coen M., Holmes E., Nicholson J.K., Antti H. The Analyst. 127:2002;1283-1288.
14. Jonathan P., Krzanowski W.J., McCarthy W.V. Stat. Comput. 10:2000;209-229.
15. Keun H.C., Ebbels T.M.D., Antti H., Bollard M.E., Beckonert O., Schlotterbeck G., Senn H., Niederhauser U., Holmes E., Lindon J.C., Nicholson J.K. Chem. Res. Toxicol. 15:2002;1380-1386.