Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction

BMC Bioinformatics

Volumn 9, Issue , 2008, Pages

  Kuhn, Stefan ^a,b   Egert, Björn ^a   Neumann, Steffen ^a   Steinbeck, Christoph ^b,c  

^a LEIBNIZ INSTITUTE OF PLANT BIOCHEMISTRY   (Germany)

^b UNIVERSITY OF COLOGNE   (Germany)

^c EUROPEAN BIOINFORMATICS INSTITUTE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BUILDING BLOCKES; COMPUTER ASSISTED; HYPOTHETICAL STRUCTURES; MACHINE LEARNING METHODS; MEAN ABSOLUTE ERROR; PREDICTION METHODS; SPECTRAL FINGERPRINTS; STRUCTURE ELUCIDATION;

BIOMOLECULES; DECISION TREES; KNOWLEDGE MANAGEMENT; LEARNING SYSTEMS; METABOLITES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROTONS;

FORECASTING;

ARTICLE; COMPUTER ANALYSIS; DATA BASE; DECISION TREE; MACHINE LEARNING; MEASUREMENT ERROR; METABOLITE; METABOLOMICS; PREDICTION; PROTON NUCLEAR MAGNETIC RESONANCE; RANDOM FOREST; STATISTICAL ANALYSIS; STRUCTURE ANALYSIS; SUPPORT VECTOR MACHINE; ALGORITHM; ARTIFICIAL INTELLIGENCE; AUTOMATED PATTERN RECOGNITION; CHEMICAL STRUCTURE; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PRINCIPAL COMPONENT ANALYSIS; STATISTICAL MODEL;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; LINEAR MODELS; MAGNETIC RESONANCE SPECTROSCOPY; METABOLOMICS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PATTERN RECOGNITION, AUTOMATED; PRINCIPAL COMPONENT ANALYSIS;

EID: 57949094277     PISSN: None     EISSN: 14712105     Source Type: Journal    
DOI: 10.1186/1471-2105-9-400     Document Type: Article

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