Computational metabolomics – a field at the boundaries of cheminformatics and bioinformatics
2011
Overview of Metabolomics and Its Challenges
publication
Author Information
Author(s): Christoph Steinbeck, Stefan Kuhn, Kalai Vanii Jayaseelan, Pablo Moreno
Primary Institution: European Bioinformatics Institute (EBI)
Conclusion
Metabolomics is a growing field that combines chemistry and biology to analyze small molecules in various biological contexts.
Supporting Evidence
- Metabolomics studies small molecular weight chemical compounds in various biological contexts.
- The field combines analytical chemistry and cheminformatics techniques to answer biological questions.
- Machine learning techniques are used to predict NMR spectra of biological metabolites.
Takeaway
Metabolomics helps scientists understand how tiny chemicals in living things change when the environment changes or when diseases occur.
Methodology
The talk discusses the use of spectroscopic and chromatographic techniques, machine learning for predicting NMR spectra, and the development of metabolomics databases.
Digital Object Identifier (DOI)
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