El-MAVEN: A Fast, Robust, and User-Friendly Mass Spectrometry Data Processing Engine for Metabolomics

Smoothing and Differentiation of Data by Simplified Least Squares Procedures.

Abraham Savitzky, Marcel J. E. Golay · Analytical Chemistry · 1964 · 21.3K citations

Natural Sciences, Chemistry, Analytical Chemistry +6

XCMS:  Processing Mass Spectrometry Data for Metabolite Profiling Using Nonlinear Peak Alignment, Matching, and Identification

Colin A. Smith, Elizabeth J. Want, Grace O’Maille et al. · Analytical Chemistry · 2006 · 5.2K citations

Life Sciences, Biochemistry, Mass Spectrometric Analysis +16

MZmine 2: Modular framework for processing, visualizing, and analyzing mass spectrometry-based molecular profile data

Tomáš Pluskal, Sandra Castillo, Alejandro Villar‐Briones et al. · BMC Bioinformatics · 2010 · 3.9K citations · Full text

Life Sciences, Bioinformatics, Systems Biology +17

Metabonomics

Jeremy K. Nicholson, John C. Lindon · Nature · 2008 · 1.9K citations

XCMS Online: A Web-Based Platform to Process Untargeted Metabolomic Data

Ralf Tautenhahn, Gary J. Patti, Duane Rinehart et al. · Analytical Chemistry · 2012 · 1.3K citations · Full text

Life Sciences, Biochemistry, Bioinformatics +17