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The impact of noise and missing fragmentation cleavages on <i>de novo</i> peptide identification algorithms

Kevin Mcdonnell, Enda Howley, Florence Abram

2022Computational and Structural Biotechnology Journal20 citationsDOIOpen Access PDF

Abstract

peptide sequencing algorithms, Novor and DeepNovo, with a particular focus on their performance with regard to missing fragmentation cleavage sites and noise. DeepNovo was found to perform better than Novor overall. However, Novor recalled more correct amino acids when 6 or more cleavage sites were missing. Furthermore, less than 11% of each algorithms' correct peptide predictions emanate from data with more than one missing cleavage site, highlighting the issues missing cleavages pose. We further investigate how the algorithms manage to correctly identify peptides with many of these missing fragmentation cleavages. We show how noise negatively impacts the performance of both algorithms, when high intensity peaks are considered. Finally, we provide recommendations regarding further algorithms' improvements and offer potential avenues to overcome current inherent data limitations.

Topics & Concepts

Missing dataComputer scienceFragmentation (computing)AlgorithmContext (archaeology)PeptideTandem mass spectrometryComputational biologyMass spectrometryData miningMachine learningBiologyChemistryBiochemistryOperating systemChromatographyPaleontologyAdvanced Proteomics Techniques and ApplicationsMass Spectrometry Techniques and ApplicationsGenomics and Phylogenetic Studies
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