A tutorial review: Metabolomics and partial least squares-discriminant analysis - a marriage of convenience or a shotgun wedding

Analytica Chimica Acta

Volumn 879, Issue , 2015, Pages 10-23

  Gromski, Piotr S ^a   Muhamadali, Howbeer ^a   Ellis, David I ^a   Xu, Yun ^a   Correa, Elon ^a   Turner, Michael L ^a   Goodacre, Royston ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Chemometrics; Metabolomics; Partial least squares discriminant analysis; Principal component discriminant function analysis; Random forests; Support vector machines

Indexed keywords

DECISION TREES; DISCRIMINANT ANALYSIS; INFORMATION DISSEMINATION; LEAST SQUARES APPROXIMATIONS; RANDOM FORESTS; SUPPORT VECTOR MACHINES;

CHEMOMETRICS; DISCRIMINANT FUNCTION ANALYSIS; METABOLOMICS; MULTIVARIATE CLASSIFICATION; PARTIAL LEAST SQUARES - DISCRIMINANT ANALYSIS; PARTIAL LEAST SQUARES DISCRIMINANT ANALYSES (PLSDA); STATISTICAL SOFTWARE PACKAGES; SUPERVISED LEARNING METHODS;

LEARNING SYSTEMS;

CALIBRATION; CASE CONTROL STUDY; DISCRIMINANT ANALYSIS; INFRARED SPECTROSCOPY; LIQUID CHROMATOGRAPHY; MASS FRAGMENTOGRAPHY; MASS SPECTROMETRY; MEASUREMENT ACCURACY; METABOLOMICS; NUCLEAR MAGNETIC RESONANCE; PARTIAL LEAST SQUARES REGRESSION; PHYSICAL CHEMISTRY; PLOTS AND CURVES; PRIORITY JOURNAL; RAMAN SPECTROMETRY; RANDOM FOREST; REPRODUCIBILITY; REVIEW; SUPPORT VECTOR MACHINE; VALIDATION PROCESS; ANIMAL; HUMAN; LEAST SQUARE ANALYSIS; PROCEDURES;

ANIMALS; DISCRIMINANT ANALYSIS; HUMANS; LEAST-SQUARES ANALYSIS; METABOLOMICS; SUPPORT VECTOR MACHINE;

EID: 84929947684     PISSN: 00032670     EISSN: 18734324     Source Type: Journal    
DOI: 10.1016/j.aca.2015.02.012     Document Type: Review

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