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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

  1. 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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