New Bioinformatics Resources For Metabolomics

@article{Markley2006NewBR,
  title={New Bioinformatics Resources For Metabolomics},
  author={John L. Markley and Mark E. Anderson and Qiu Cui and Hamid Eghbalnia and Ian A. Lewis and Adrian D. Hegeman and Jing Li and Christopher F. Schulte and Michael R. Sussman and William M. Westler and Eldon L. Ulrich and Zsolt Zolnai},
  journal={Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing},
  year={2006},
  pages={
          157-68
        }
}
We recently developed two databases and a laboratory information system as resources for the metabolomics community. These tools are freely available and are intended to ease data analysis in both MS and NMR based metabolomics studies. The first database is a metabolomics extension to the BioMagResBank (BMRB, http://www.bmrb.wisc.edu), which currently contains experimental spectral data on over 270 pure compounds. Each small molecule entry consists of five or six one- and two-dimensional NMR… CONTINUE READING

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