Comparison of two algorithmic data processing strategies for metabolic fingerprinting by comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry

Journal of Chromatography A

Volumn 1218, Issue 39, 2011, Pages 7031-7038

  Almstetter, Martin F ^a   Appel, Inka J ^a   Dettmer, Katja ^a   Gruber, Michael A ^b   Oefner, Peter J ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

^b UNIVERSITY HOSPITAL REGENSBURG   (Germany)

Author keywords

Alignment; Data mining; GC GC TOFMS; Metabolic fingerprinting; Metabolomics; Spike in experiment

Indexed keywords

ALIGNMENT ALGORITHMS; AQUEOUS METHANOL; COMPARATIVE ANALYSIS; COMPREHENSIVE TWO-DIMENSIONAL; DATA ALIGNMENTS; DOUBLE MUTANTS; E. COLI; ESCHERICHIA COLI (E. COLI); FALSE DISCOVERY RATE; INPUT SIGNAL; METABOLIC FINGERPRINTING; METABOLITE CONCENTRATIONS; METABOLOMICS; QUANTITATIVE MEASURES; RETENTION TIME; ROC CURVES; SIGNAL INTENSITIES; SPECTRAL INTENSITY; SPIKE-IN EXPERIMENT; TRIMETHYLSILYL; WILD TYPES;

ALGORITHMS; ALIGNMENT; BIOMOLECULES; ESCHERICHIA COLI; EXPERIMENTS; GAS CHROMATOGRAPHY; MASS SPECTROMETERS; MASS SPECTROMETRY; METABOLISM; METABOLITES; METHANOL; SMOKE DETECTORS; SOLVENT EXTRACTION; TWO DIMENSIONAL;

DATA HANDLING;

TRIMETHYLSILYL DERIVATIVE;

ALGORITHM; ARTICLE; COMPARATIVE EFFECTIVENESS; COMPUTER PROGRAM; CONTROLLED STUDY; DNA FINGERPRINTING; ESCHERICHIA COLI; GAS CHROMATOGRAPHY; INFORMATION PROCESSING; INTEGRATIVE NORMALIZATION AND COMPARATIVE ANALYSIS; LIMIT OF DETECTION; METABOLITE; METABOLOMICS; NONHUMAN; PRIORITY JOURNAL; STATISTICAL ANALYSIS; STATISTICAL COMPARE; TIME OF FLIGHT MASS SPECTROMETRY; TWO DIMENSIONAL GAS CHROMATOGRAPHY; WILD TYPE;

ALGORITHMS; DATA MINING; ESCHERICHIA COLI; ESCHERICHIA COLI PROTEINS; GAS CHROMATOGRAPHY-MASS SPECTROMETRY; METABOLOME; METABOLOMICS; MULTIVARIATE ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; ROC CURVE; SOFTWARE;

ESCHERICHIA COLI;

EID: 80052328207     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2011.08.006     Document Type: Article

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