Beam search for peak alignment of NMR signals

Recent work by Forshed et al. [Anal. Chim. Acta 487 (2003) 189] resulted in an important tool for aligning two NMR spectra. The recognition that the problem posed by Forshed et al. is separable results in fast heuristics that give results that are at least as good as the in an order of magnitude les...

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Bibliographic Details
Published inAnalytica chimica acta Vol. 513; no. 2; pp. 413 - 416
Main Authors Lee, Geun-Cheol, Woodruff, David L
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier B.V 25.06.2004
Elsevier
Subjects
Analytical chemistry
Beam search
Chemistry
Exact sciences and technology
Metabolomics
Metabonomics
NMR
Peak alignment
Spectrometric and optical methods
Metabolomics
NMR
Metabonomics
Peak alignment
Beam search
Alignment
Peak
NMR spectrometry
Search algorithm
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ISSN0003-2670
1873-4324
DOI10.1016/j.aca.2004.02.068

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Summary:Recent work by Forshed et al. [Anal. Chim. Acta 487 (2003) 189] resulted in an important tool for aligning two NMR spectra. The recognition that the problem posed by Forshed et al. is separable results in fast heuristics that give results that are at least as good as the in an order of magnitude less time. A beam search algorithm is described along with experiments using two different NMR spectrometers and sets of subjects.
ISSN:0003-2670
1873-4324
DOI:10.1016/j.aca.2004.02.068