Automated annotation and quantification of metabolites in 1H NMR data of biological origin

Analytical and Bioanalytical Chemistry

Volumn 403, Issue 2, 2012, Pages 443-455

  Alm, Erik ^a   Slagbrand, Tove ^a   Åberg, K Magnus ^a,b   Wahlström, Erik ^b   Gustafsson, Ingela ^b   Lindberg, Johan ^b  

^a STOCKHOLM UNIVERSITY   (Sweden)

^b ASTRAZENECA R AND D   (Sweden)

Author keywords

Alignment; Hough transform; Metabolomics; Multivariate; Quantification; Spectral profiling; Urine

Indexed keywords

ALIGNMENT; BIOMOLECULES; DATA MINING; HOUGH TRANSFORMS; MASS SPECTROMETRY; PRINCIPAL COMPONENT ANALYSIS; SPECTRUM ANALYSIS;

METABOLOMICS; MULTIVARIATE; QUANTIFICATION; SPECTRAL PROFILING; URINE;

METABOLITES;

EID: 84861226666     PISSN: 16182642     EISSN: 16182650     Source Type: Journal    
DOI: 10.1007/s00216-012-5789-x     Document Type: Article

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