| Autor: |
Godmer, Alexandre, Benzerara, Yahia, Veziris, Nicolas, Matondo, Mariette, Aubry, Alexandra, Gianetto, Quentin Giai |
| Přispěvatelé: |
Centre d'Immunologie et des Maladies Infectieuses (CIMI), Institut National de la Santé et de la Recherche Médicale (INSERM)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS), CHU Saint-Antoine [AP-HP], Assistance publique - Hôpitaux de Paris (AP-HP) (AP-HP)-Sorbonne Université (SU), Plateforme de Protéomique / Proteomics platform, Université Paris Cité (UPCité)-Spectrométrie de Masse pour la Biologie – Mass Spectrometry for Biology (UTechS MSBio), Institut Pasteur [Paris] (IP)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité)-Institut Pasteur [Paris] (IP)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), CHU Pitié-Salpêtrière [AP-HP], Hub Bioinformatique et Biostatistique - Bioinformatics and Biostatistics HUB, Institut Pasteur [Paris] (IP)-Université Paris Cité (UPCité) |
| Rok vydání: |
2022 |
| Předmět: |
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| DOI: |
10.1101/2022.03.14.484252 |
| Popis: |
MotivationClassification of mass spectra is essential for identifying microorganisms from matrix-assisted laser desorption/ionization-time of flight (MALDI-TOF) mass spectrometry. However, spectrally close organisms remain difficult to identify. In this context, we developed the MSclassifR R package to improve the classification of mass spectra. Its open code strengthens the reproducibility of analyzes in the community.ResultsWe applied the functions of our package to raw mass spectra from three different laboratories. The best workflow available in MSclassifR package achieves near 100% accuracy in all three datasets. Thus, MSclassifR constitutes an interesting alternative for reliable MALDI-TOF based diagnosis.AvailabilityMSclassifR is freely available online from CRAN repository https://cran.r-project.org/web/packages/MSclassifR/index.html. Two vignettes illustrating how to use the functions of this package from real data sets are also available online to help users.Contactalexandre.godmer@aphp.frSupplementary informationSupplementary material is available at Bio-informatics online. |
| Databáze: |
OpenAIRE |
| Externí odkaz: |
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