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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...
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curvclust
- Referenced in 6 articles
[sw07435]
- Then, we illustrate our method on mass spectrometry data and we propose an original application...
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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...
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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...
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GutenTag
- Referenced in 5 articles
[sw35329]
- mixtures via liquid chromatography and tandem mass spectrometry. The most widely used class of algorithms...
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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...
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ProteoWizard
- Referenced in 2 articles
[sw30165]
- cross-platform toolkit for mass spectrometry and proteomics. Mass-spectrometry-based proteomics has become...
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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...
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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...
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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...
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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...
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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...
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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...
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OrgMassSpecR
- Referenced in 1 article
[sw21124]
- package OrgMassSpecR: Organic Mass Spectrometry. Organic/biological mass spectrometry data analysis...
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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...
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GENCODE
- Referenced in 2 articles
[sw22999]
- supported by peptide hits derived from mass spectrometry spectra submitted to Peptide Atlas. New models...
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TargetSearch
- Referenced in 2 articles
[sw19123]
- field is gas-chromatography hyphenated with mass spectrometry (GC-MS). The high-throughput of this...
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trc
- Referenced in 1 article
[sw30510]
- measure of test-retest reliability in mass spectrometry data. In mass spectrometry (MS) experiments, more...
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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...
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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...