DiagnoProt
Computational Tool
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General Information
DescriptionA tool for discovery of new molecules by mass spectrometry
Homepagehttp://patternlabforproteomics.org/diagnoprot
Publications
DiagnoProt: a tool for discovery of new molecules by mass spectrometry
André R.F. Silva; Diogo B. Lima; Alejandro Leyva; Rosario Duran; Carlos Batthyany; Priscila F. Aquino; Juliana C. Leal; Jimmy E. Rodriguez; Gilberto B. Domont; Marlon D.M. Santos; Julia Chamot-Rooke; Valmir C. Barbosa; Paulo C. Carvalho
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.
Results: We exemplify the use of DiagnoProt by shortlisting 4366 high-quality unidentified tandem mass spectra that are discriminative of different types of the Aspergillus fungus.
Availability and Implementation: DiagnoProt, a demonstration video and a user tutorial are available at http://patternlabforproteomics.org/diagnoprot.
Contact: andrerfsilva@gmail.com or paulo@pcarvalho.com
Supplementary information: Supplementary data are available at Bioinformatics online.
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