Non-linear modeling of 1H NMR metabonomic data using kernel-based orthogonal projections to latent structures optimized by simulated annealing.

Linear multivariate projection methods are frequently applied for predictive modeling of spectroscopic data in metabonomic studies. The OPLS method is a commonly used computational procedure for characterizing spectral metabonomic data, largely due to its favorable model interpretation properties pr...

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Hlavní autoři: Fonville, J, Bylesjö, M, Coen, M, Nicholson, J, Holmes, E, Lindon, J, Rantalainen, M
Médium: Journal article
Jazyk:English
Vydáno: 2011