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Journal article

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

Abstract:

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 providing separate descriptions of predictive variation and response-orthogonal structured noise. However, when the relationship between descriptor variables and the response is non-linear, conventio...

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Publication status:
Published

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Publisher copy:
10.1016/j.aca.2011.04.016

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Journal:
Analytica chimica acta
Volume:
705
Issue:
1-2
Pages:
72-80
Publication date:
2011-10-05
DOI:
EISSN:
1873-4324
ISSN:
0003-2670
URN:
uuid:f4a3ac57-c469-46f5-8d9c-a30eacdb789d
Source identifiers:
186468
Local pid:
pubs:186468

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