Send to

Choose Destination
Conf Proc IEEE Eng Med Biol Soc. 2010;2010:756-9. doi: 10.1109/IEMBS.2010.5626337.

SVM-based spectral matching for metabolite identification.

Author information

Department of Electrical and Computer Engineering at Virginia Polytechnic Institute and State University, Falls Church, VA 22043 USA.


Mass spectrometry-based metabolomics is getting mature and playing an ever important role in the systematic understanding of biological process in conjunction with other members of "-omics" family. However, the identification of metabolites in untargeted metabolomics profiling remains a challenge. In this paper, we propose a support vector machine (SVM)-based spectral matching algorithm to combine multiple similarity measures for accurate identification of metabolites. We compared the performance of this approach with several existing spectral matching algorithms on a spectral library we constructed. The results demonstrate that our proposed method is very promising in identifying metabolites in the face of data heterogeneity caused by different experimental parameters and platforms.

[Indexed for MEDLINE]

Supplemental Content

Full text links

Icon for IEEE Engineering in Medicine and Biology Society
Loading ...
Support Center