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Performance evaluation of algorithms for the classification of metabolic 1H NMR fingerprints

Hochrein, Jochen, Klein, Matthias S., Zacharias, Helena, Li, Juan, Wijffels, Gene, Schirra, Horst Joachim, Spang, Rainer, Oefner, Peter J. and Gronwald, Wolfram (2012) Performance evaluation of algorithms for the classification of metabolic 1H NMR fingerprints. Journal of proteome research 11 (12), pp. 6242-6251.

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Abstract

Nontargeted metabolite fingerprinting is increasingly applied to biomedical classification. The choice of classification algorithm may have a considerable impact on outcome. In this study, employing nested cross-validation for assessing predictive performance, six binary classification algorithms in combination with different strategies for data-driven feature selection were systematically ...

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Item type:Article
Date:December 2012
Institutions:Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Funktionelle Genomik (Prof. Oefner)
Medicine > Institut für Funktionelle Genomik > Lehrstuhl für Statistische Bioinformatik (Prof. Spang)
Identification Number:
ValueType
23116257PubMed ID
10.1021/pr3009034DOI
Classification:
NotationType
AlgorithmsMESH
AnimalsMESH
Area Under CurveMESH
CattleMESH
Computational Biology/methodsMESH
Glomerulonephritis/urineMESH
HumansMESH
Least-Squares AnalysisMESH
MetabolomeMESH
Metabolomics/methodsMESH
Milk/chemistryMESH
Nuclear Magnetic Resonance, Biomolecular/methodsMESH
Polycystic Kidney, Autosomal Dominant/urineMESH
ROC CurveMESH
Reproducibility of ResultsMESH
Sheep/bloodMESH
SoftwareMESH
Support Vector MachinesMESH
Dewey Decimal Classification:500 Science > 500 Natural sciences & mathematics
500 Science > 570 Life sciences
600 Technology > 610 Medical sciences Medicine
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Partially
Item ID:30579
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