Evaluation of ensemble Monte Carlo variable selection for identification of metabolite markers on NMR data

Analytica Chimica Acta

Volumn 964, Issue , 2017, Pages 45-54

  Esquerre, C A ^a   Gowen, A A ^a   O'Gorman, A ^a   Downey, G ^a,b   O'Donnell, C P ^a  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

^b ASHTOWN FOOD RESEARCH CENTRE   (Ireland)

Author keywords

Enhanced Monte Carlo variable selection; NMR; PLS; Variable selection

Indexed keywords

BIOMOLECULES; CHEMICAL SHIFT; FUNGI; METABOLITES; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PALMPRINT RECOGNITION; WINE;

ENSEMBLE MONTE CARLO; METABOLITE FINGERPRINTING; MULTIVARIATE CORRELATION; ONION BY-PRODUCTS; SELECTIVITY RATIO; VARIABLE IMPORTANCES; VARIABLE SELECTION; VARIABLE SELECTION METHODS;

MONTE CARLO METHODS;

ALCOHOL; FRUCTOSE; GLUCOSE; GLYCEROL; LACTIC ACID; MALIC ACID; METHANOL; BIOLOGICAL MARKER;

AGARICUS BISPORUS; ARTICLE; CONTROLLED STUDY; ENSEMBLE MONTE CARLO VARIABLE SELECTION; FOOD ANALYSIS; INTERMETHOD COMPARISON; METABOLITE; NONHUMAN; PROTON NUCLEAR MAGNETIC RESONANCE; RAT; SELECTIVITY RATIO; SIGNIFICANCE MULTIVARIATE CORRELATION; STATISTICAL ANALYSIS; STATISTICAL PARAMETERS; URINALYSIS; VARIABLE IMPORTANCE ON PROJECTION; WINE; AGARICUS; ANALYSIS; ANIMAL; CHEMISTRY; METABOLISM; MONTE CARLO METHOD; NUCLEAR MAGNETIC RESONANCE IMAGING; URINE;

AGARICUS; ANIMALS; BIOMARKERS; MAGNETIC RESONANCE IMAGING; MONTE CARLO METHOD; PROTON MAGNETIC RESONANCE SPECTROSCOPY; RATS; URINE; WINE;

EID: 85013053135     PISSN: 00032670     EISSN: 18734324     Source Type: Journal    
DOI: 10.1016/j.aca.2017.01.027     Document Type: Article

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