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- 2Mass-spectrometry
- 1Biotransformation
- 1Human metabolite
- 1Machine learning
- 1Metabolic reaction
- 1Metabolite identification
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Spring 2016
One of the key obstacles to the effective use of mass spectrometry (MS) in high throughput metabolomics is the difficulty in interpreting measured spectra to accurately and efficiently identify metabolites. Traditional methods for automated metabolite identification compare the target MS spectrum...
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Fall 2013
High throughput bio-technologies in chemistry experiments generate a huge amount of data. These data are awaiting to be analyzed for knowledge discovery. In this work, we have developed a web-based resource MyCompoundID for compound identification. Our base database contains 8,021 metabolite...
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