An unsupervised machine learning method for assessing quality of tandem mass spectra

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Preprocessing of tandem mass spectra using machine learning methods

Protein identification has been more helpful than before in the diagnosis and treatment of many diseases, such as cancer, heart disease and HIV. Tandem mass spectrometry is a powerful tool for protein identification. In a typical experiment, proteins are broken into small amino acid oligomers called peptides. By determining the amino acid sequence of several peptides of a protein, its whole ami...

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For high-resolution tandem mass spectra, the determination of monoisotopic masses of fragment ions plays a key role in the subsequent peptide and protein identification. In this paper, we present a new algorithm for deisotoping the bottom-up spectra. Isotopic-cluster graphs are constructed to describe the relationship between all possible isotopic clusters. Based on the relationship in isotopic...

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Automatic Quality Assessment of Peptide Tandem Mass Spectra

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ژورنال

عنوان ژورنال: Proteome Science

سال: 2012

ISSN: 1477-5956

DOI: 10.1186/1477-5956-10-s1-s12