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Updated: Mar 7, 2026

Mass Spectrometry-Guided Genome Mining as a Tool to Uncover Novel Natural Products
Published on: March 12, 2020
DiagnoProt: a tool for discovery of new molecules by mass spectrometry
André R F Silva1, Diogo B Lima2, Alejandro Leyva3
1Systems Engineering and Computer Science Program, Federal University of Rio de Janeiro, Rio de Janeiro, Brazil.
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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