• SIRIUS

  • Referenced in 4 articles [sw14027]
  • metabolite identification. Motivation: High-resolution mass spectrometry (MS) is among the most widely used technologies ... formula of a metabolite solely from its mass and the natural distribution of its isotopes ... promising: for orthogonal time-of-flight mass spectrometry, we correctly identify sum formulas...
  • curvclust

  • Referenced in 6 articles [sw07435]
  • Then, we illustrate our method on mass spectrometry data and we propose an original application...
  • WaveSpect0

  • Referenced in 4 articles [sw08760]
  • Wavelet-based procedures for proteomic mass spectrometry data processing. Proteomics aims at determining the structure ... expression of proteins. High-throughput mass spectrometry (MS) is emerging as a leading technique...
  • MALDIquant

  • Referenced in 3 articles [sw15881]
  • Mass spectrometry analysis using MALDIquant. MALDIquant and associated R packages provide a versatile and completely ... open-source platform for analyzing 2D mass spectrometry data as generated for instance by MALDI ... cancer data set, starting from raw mass spectrometry measurements and ending at multivariate classification...
  • GutenTag

  • Referenced in 5 articles [sw35329]
  • mixtures via liquid chromatography and tandem mass spectrometry. The most widely used class of algorithms...
  • Decon2LS

  • Referenced in 3 articles [sw16610]
  • processing and visualization of high resolution mass spectrometry data. BACKGROUND: Data generated from liquid chromatography ... coupled to high-resolution mass spectrometry (LC-MS)-based studies of a biological sample ... metabolites. Interpreting this data involves inferring the masses and abundances of biomolecules injected into...
  • ProteoWizard

  • Referenced in 2 articles [sw30165]
  • cross-platform toolkit for mass spectrometry and proteomics. Mass-spectrometry-based proteomics has become...
  • NITPICK

  • Referenced in 2 articles [sw39674]
  • NITPICK: Peak identification for mass spectrometry data. Background: The reliable extraction of features from mass ... automated analysis of proteomic mass spectrometry (MS) experiments. Results: This contribution proposes a sparse template ... deconvolves complex overlapping isotope distributions in multicomponent mass spectra. NITPICK is based on fractional averagine...
  • amsrpm

  • Referenced in 2 articles [sw25884]
  • present in a living organism, and mass spectrometry (MS) has become its most important tool ... experimentation. A frequently used variant of mass spectrometry is coupled with liquid chromatography...
  • PyMS

  • Referenced in 1 article [sw11283]
  • modular software for processing of chromatography-mass spectrometry data, currently primarily tested on gas chromatography ... mass spectrometry (GC-MS) data. PyMS is written in Python, an object oriented, general purpose ... been extensively tested on gas chromatography--mass spectrometry (GC-MS) data. We are currently working ... PyMS processing capabilities to liquid chromatography--mass spectrometry (LC-MS) data...
  • MSnbase

  • Referenced in 1 article [sw21121]
  • R/Bioconductor package for isobaric tagged mass spectrometry data visualization, processing and quantitation. Base Functions ... Classes for Mass Spectrometry and Proteomics. Manipulation, processing and visualisation of mass spectrometry and proteomics...
  • mzr

  • Referenced in 1 article [sw21120]
  • mzData and mzML and mzIdentML files (mass spectrometry data). mzR provides a unified ... file formats and parsers available for mass spectrometry data. It comes with a wrapper ... random access parser for mass spectrometry mzXML, mzData and mzML files. The package contains...
  • UniNovo

  • Referenced in 2 articles [sw34892]
  • novo peptide sequencing. Motivation: Mass spectrometry (MS) instruments and experimental protocols are rapidly advancing ... novo peptide sequencing algorithms to analyze tandem mass (MS/MS) spectra are lagging behind. Although existing...
  • OrgMassSpecR

  • Referenced in 1 article [sw21124]
  • package OrgMassSpecR: Organic Mass Spectrometry. Organic/biological mass spectrometry data analysis...
  • LIMPIC

  • Referenced in 2 articles [sw35379]
  • signals from noise. Background: Mass spectrometry protein profiling is a promising tool for biomarker discovery ... homogeneous noise level in the mass spectrum. A comparison of the peaks collected from multiple...
  • GENCODE

  • Referenced in 2 articles [sw22999]
  • supported by peptide hits derived from mass spectrometry spectra submitted to Peptide Atlas. New models...
  • TargetSearch

  • Referenced in 2 articles [sw19123]
  • field is gas-chromatography hyphenated with mass spectrometry (GC-MS). The high-throughput of this...
  • trc

  • Referenced in 1 article [sw30510]
  • measure of test-retest reliability in mass spectrometry data. In mass spectrometry (MS) experiments, more...
  • Wave-spec

  • Referenced in 1 article [sw18844]
  • Wave-spec: a preprocessing package for mass spectrometry data. Wave-spec is a pre-processing ... package for mass spectrometry (MS) data. The package includes several novel algorithms that overcome conventional...
  • Imsmining

  • Referenced in 1 article [sw13471]
  • Imsmining: A tool for imaging mass spectrometry data biomarker selection and classification We developed IMSmining ... functions of intuitive visualization of imaging mass spectrometry (IMS) data with advanced analysis algorithms...