Functions to classify mass spectra in known categories, and to determine discriminant mass-to-charge values. It includes easy-to-use functions for preprocessing mass spectra, functions to determine discriminant mass-to-charge values (m/z) from a library of mass spectra corresponding to different categories, and functions to predict the category (species, phenotypes, etc.) associated to a mass spectrum from a list of selected mass-to-charge values. If you use this package in your research, please cite the associated publication (<doi:10.1016/j.eswa.2025.128796>). For a comprehensive guide, additional applications, and detailed examples of using this package, please visit our GitHub repository (<https://github.com/agodmer/MSclassifR_examples>).
Version: 0.4.0 Depends: R (≥ 4.0), cp4p, caret, statmod, MALDIquant, MALDIrppa Imports: e1071, MALDIquantForeign, mixOmics, reshape2, ggplot2, nnet, dplyr, VSURF, metap, xgboost, glmnet, Boruta, mltools, mclust, stats, limma, car, vita, randomForest Suggests: knitr, rmarkdown Published: 2025-07-02 DOI: 10.32614/CRAN.package.MSclassifR Author: Alexandre Godmer [aut, cre], Quentin Giai Gianetto [aut], Karen Druart [aut] Maintainer: Alexandre Godmer <alexandre.godmer at aphp.fr> BugReports: https://github.com/agodmer/MSclassifR_examples/issues License: GPL (≥ 3) URL: https://github.com/agodmer/MSclassifR_examples, https://doi.org/10.1016/j.eswa.2025.128796 NeedsCompilation: no CRAN checks: MSclassifR results Documentation: Downloads: Linking:Please use the canonical form https://CRAN.R-project.org/package=MSclassifR to link to this page.
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