• Published 2017

Substance class annotation for long candidate lists in metabolite identification using structural ontologies

@inproceedings{Scharfenberg2017SubstanceCA,
  title={Substance class annotation for long candidate lists in metabolite identification using structural ontologies},
  author={Sarah Scharfenberg and Janna Hastings and Pablo Moreno and Stephan Beisken and Christoph Steinbeck and Steffen Neumann},
  year={2017}
}
As an integral part of Systems Biology, Metabolomics aims to detect and identify the chemical compounds that drive and participate in biological processes. In untargeted Metabolomics various sample types with a large number of different metabolites are characterized. The method of choice today is mass spectrometry because of its high sensitivity and the broad coverage of measurable metabolites. Tandem mass spectrometry, which reveals information about the compound structure, provides useful… CONTINUE READING

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