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DiagnoProt: a tool for discovery of new molecules by mass spectrometry
Author(s) -
André R.F. Silva,
Diogo Borges Lima,
Alejandro Leyva,
Rosario Durán,
Carlos Batthyány,
Priscila Ferreira de Aquino,
Juliana C Leal,
Jimmy Rodriguez Murillo,
Gilberto B. Domont,
Marlon Dias Mariano Santos,
Julia ChamotRooke,
Valmir C. Barbosa,
Paulo C. Carvalho
Publication year - 2017
Publication title -
bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.599
H-Index - 390
eISSN - 1367-4811
pISSN - 1367-4803
DOI - 10.1093/bioinformatics/btx093
Subject(s) - mass spectrometry , chemistry , computer science , computational biology , chromatography , biology
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.

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