Package: MSclassifR
Type: Package
Title: Automated Classification of Mass Spectra
Version: 0.4.0
Authors@R: c(
    person("Alexandre", "Godmer", role=c("aut", "cre"), email="alexandre.godmer@aphp.fr"),
    person("Quentin", "Giai Gianetto", role=c("aut"), email="quentin.giaigianetto@pasteur.fr"),
    person("Karen", "Druart", role=c("aut"))
    )
Maintainer: Alexandre Godmer <alexandre.godmer@aphp.fr>
Description: 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>).
URL: https://github.com/agodmer/MSclassifR_examples,
        https://doi.org/10.1016/j.eswa.2025.128796
BugReports: https://github.com/agodmer/MSclassifR_examples/issues
License: GPL (>= 3)
Encoding: UTF-8
LazyData: true
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,
NeedsCompilation: no
RoxygenNote: 7.1.1
Packaged: 2025-07-02 09:54:43 UTC; qgiaigia
Author: Alexandre Godmer [aut, cre],
  Quentin Giai Gianetto [aut],
  Karen Druart [aut]
Repository: CRAN
Date/Publication: 2025-07-02 16:20:16 UTC
Built: R 4.4.3; ; 2025-11-24 07:00:20 UTC; windows
