Grace O’Maille
Scripps Research Institute
1 paper in the Anchorcite directory, published in 2006, cited 5,462 times in total.
Research topics
Frequent co-authors
- Colin A. Smith · 1 paper
- Elizabeth J. Want · 1 paper
- Ruben A Abagyan · 1 paper
- Gary E. Siuzdak · 1 paper
Papers
- XCMS: Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and IdentificationAnalytical Chemistry · 2006 · 5,462 citations
Metabolite profiling in biomarker discovery, enzyme substrate assignment, drug activity/specificity determination, and basic metabolic research requires new data preprocessing approaches to correlate specific metabolites to their biological origin. Here we introduce an LC/MS-based data analysis approach, XCMS, which incorporates novel…
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