Probabilistic framework for integration of mass spectrum and retention time information in small molecule identification
نویسندگان
چکیده
منابع مشابه
Peptide Retention Time Prediction Yields Improved Tandem Mass Spectrum Identification for Diverse Chromatography Conditions
Most tandem mass spectrum identification algorithms use information only from the final spectrum, ignoring precursor information such as peptide retention time (RT). Efforts to exploit peptide RT for peptide identification can be frustrated by its variability across liquid chromatography analyses. We show that peptide RT can be reliably predicted by training a support vector regressor on a sing...
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15 صفحه اولImproving tandem mass spectrum identification using peptide retention time prediction across diverse chromatography conditions.
Most algorithms for identifying peptides from tandem mass spectra use information only from the final spectrum, ignoring non-mass-based information acquired routinely in liquid chromatography tandem mass spectrometry analyses. One physiochemical property that is always obtained but rarely exploited is peptide chromatographic retention time. Efforts to use chromatographic retention time to impro...
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ژورنال
عنوان ژورنال: Bioinformatics
سال: 2020
ISSN: 1367-4803,1460-2059
DOI: 10.1093/bioinformatics/btaa998