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# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
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cff-version: 1.2.0
message: 'To cite package "cliqueMS" in publications use:'
type: software
license: GPL-2.0-or-later
title: 'cliqueMS: Annotation of Isotopes, Adducts and Fragmentation Adducts for in-Source
  LC/MS Metabolomics Data'
version: 1.7.1
identifiers:
- type: doi
  value: 10.32614/CRAN.package.cliqueMS
abstract: Annotates data from liquid chromatography coupled to mass spectrometry (LC/MS)
  metabolomics experiments. Based on a network algorithm (O.Senan, A. Aguilar- Mogas,
  M. Navarro, O. Yanes, R.Guimerà and M. Sales-Pardo, Bioinformatics, 35(20), 2019),
  'CliqueMS' builds a weighted similarity network where nodes are features and edges
  are weighted according to the similarity of this features. Then it searches for
  the most plausible division of the similarity network into cliques (fully connected
  components). Finally it annotates metabolites within each clique, obtaining for
  each annotated metabolite the neutral mass and their features, corresponding to
  isotopes, ionization adducts and fragmentation adducts of that metabolite.
authors:
- family-names: Senan Campos
  given-names: Oriol
  email: oriol.senan@praenoscere.com
- family-names: Aguilar-Mogas
  given-names: Antoni
- family-names: Capellades
  given-names: Jordi
- family-names: Navarro
  given-names: Miriam
- family-names: Yanes
  given-names: Oscar
- family-names: Guimera
  given-names: Roger
- family-names: Sales-Pardo
  given-names: Marta
preferred-citation:
  type: article
  title: 'CliqueMS: a computational tool for annotating in-source metabolite ions
    from LC-MS untargeted metabolomics data based on a coelution similarity network'
  authors:
  - family-names: Senan
    given-names: O.
  - family-names: Aguilar-Mogas
    given-names: A.
  - family-names: Navarro
    given-names: M.
  - family-names: Capellades
    given-names: J.
  - family-names: Noon
    given-names: L
  - family-names: Burks
    given-names: D
  - family-names: Yanes
    given-names: O.
  - family-names: Guimerà
    given-names: R.
  - family-names: Sales-Pardo
    given-names: M.
  journal: Bioinformatics
  year: '2019'
  month: '3'
  volume: '35'
  issue: '20'
  url: https://doi.org/10.1093/bioinformatics/btz207
repository: https://rickhelmus.r-universe.dev
repository-code: https://github.com/osenan/cliqueMS
commit: cb569e0b78ce0fa4254f1393874762bed08fa855
url: http://cliquems.seeslab.net
contact:
- family-names: Senan Campos
  given-names: Oriol
  email: oriol.senan@praenoscere.com