DiagnoProt: a tool for discovery of new molecules by mass spectrometry.

Journal: Bioinformatics (Oxford, England)
Published Date: Jun 15, 2017

Abstract

MOTIVATION: Around 75% of all mass spectra remain unidentified by widely adopted proteomic strategies. We present DiagnoProt, an integrated computational environment that can efficiently cluster millions of spectra and use machine learning to shortlist high-quality unidentified mass spectra that are discriminative of different biological conditions.

Authors

  • André R F Silva
    Systems Engineering and Computer Science Program, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil.
  • Diogo B Lima
    Institut Pasteur, Structural Mass Spectrometry and Proteomics Unit, Paris, France.
  • Alejandro Leyva
    Analytical Biochemistry and Proteomics Unit, Institut Pasteur de Montevideo/IIBCE, Montevideo, Uruguay.
  • Rosario Duran
    Analytical Biochemistry and Proteomics Unit, Institut Pasteur de Montevideo/IIBCE, Montevideo, Uruguay.
  • Carlos Batthyany
    Analytical Biochemistry and Proteomics Unit, Institut Pasteur de Montevideo/IIBCE, Montevideo, Uruguay.
  • Priscila F Aquino
    Leônidas and Maria Deane Institute, Fiocruz, Amazonas, Brazil.
  • Juliana C Leal
    Leônidas and Maria Deane Institute, Fiocruz, Amazonas, Brazil.
  • Jimmy E Rodriguez
    Proteomics Unit, Chemistry Institute, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil.
  • Gilberto B Domont
    Research Center for Precision Medicine, IBCCF & Chemistry Institute, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil.
  • Marlon D M Santos
    Carlos Chagas Institute, Computational Mass Spectrometry & Proteomics Group, Fiocruz, Paraná, Brazil.
  • Julia Chamot-Rooke
    Institut Pasteur, Structural Mass Spectrometry and Proteomics Unit, Paris, France.
  • Valmir C Barbosa
    Systems Engineering and Computer Science Program, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil.
  • Paulo C Carvalho
    Carlos Chagas Institute, Computational Mass Spectrometry & Proteomics Group, Fiocruz, Paraná, Brazil.

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