The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
Chemometrics in Metabonomics
Abstract
We provide an overview of how the underlying philosophy of chemometrics is integrated throughout metabonomic studies. Four steps are demonstrated: (1) definition of the aim, (2) selection of objects, (3) sample preparation and characterization, and (4) evaluation of the collected data. This includes the tools applied for linear modeling, for example, Statistical Experimental Design (SED), Principal Component Analysis (PCA), Partial least-squares (PLS), Orthogonal-PLS (OPLS), and dynamic extensions thereof. This is illustrated by examples from the literature. Keywords: Statistical Experimental Design (SED) • PCA • OPLS • Class-specific studies • Dynamic studies • Multivariate Design
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Cites
An introduction to hidden Markov models
Rabiner, L., & Juang, B. (1986) · IEEE ASSP Magazine · doi:10.1109/massp.1986.1165342 · Cited by 4,775
Wold, S., Ruhe, A., Wold, H., & Dunn, III (1984) · SIAM Journal on Scientific and Statistical Computing · doi:10.1137/0905052 · Cited by 2,529
Susceptibility of Human Metabolic Phenotypes to Dietary Modulation
Stella, C., Beckwith-Hall, B., Cloarec, O., Holmes, E., Lindon, J. C., Powell, J., van der Ouderaa, F., Bingham, S., Cross, A. J., & Nicholson, J. K. (2006) · Journal of Proteome Research · doi:10.1021/pr060265y · Cited by 376
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Cited by
Gut microbiota functions: metabolism of nutrients and other food components
Rowland, I., Gibson, G., Heinken, A., Scott, K., Swann, J., Thiele, I., & Tuohy, K. (2018) · European Journal of Nutrition · doi:10.1007/s00394-017-1445-8 · Cited by 2,878
Assessment of PLSDA Cross Validation
Westerhuis, J. A., Hoefsloot, H. C. J., Smit, S., Vis, D. J., Smilde, A. K., van Velzen, E. J. J., van Duijnhoven, J. P. M., & van Dorsten, F. A. (2008) · Metabolomics · doi:10.1007/s11306-007-0099-6 · Cited by 1,471
Advanced methods of plant disease detection. A review
Martinelli, F., Scalenghe, R., Davino, S., Panno, S., Scuderi, G., Ruisi, P., Villa, P., Stroppiana, D., Boschetti, M., Goulart, L. R., et al. (2015) · Agronomy for Sustainable Development · doi:10.1007/s13593-014-0246-1 · Cited by 964
Clayton, T. A., Baker, D., Lindon, J. C., Everett, J. R., & Nicholson, J. K. (2009) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0904489106 · Cited by 765
Reflections on univariate and multivariate analysis of metabolomics data
Saccenti, E., Hoefsloot, H. C. J., Smilde, A. K., Westerhuis, J. A., & Hendriks, M. M. W. B. (2014) · Metabolomics · doi:10.1007/s11306-013-0598-6 · Cited by 658
Metadata
- Authors
- Trygg, J., Holmes, E., & Lundstedt, T.
- Venue
- Journal of Proteome Research
- Publisher
- American Chemical Society (ACS)
- Published
- 2006-12-22
- Volume
- 6
- Issue
- 2
- Pages
- 469-479
- ISSN
- 1535-3893 (ISSN-L)
- 1535-3907
- OpenAlex
- W2060952451
- Cited by
- 1,273
- References
- 3
- FWCI
- 16.08
- Type
- journal article
- Language
- en
- Open access
- closed
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