Package: MSclassifR
Type: Package
Title: Automated Classification of Mass Spectra
Version: 0.3.3
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-over-charge values. It includes easy-to-use functions for pre-processing mass spectra, functions to determine discriminant mass-over-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-over-charge values. Three vignettes illustrating how to use the functions of this package from real data sets are also available online to help users: <https://agodmer.github.io/MSclassifR_examples/Vignettes/Vignettemsclassifr_Ecrobiav3.html>, <https://agodmer.github.io/MSclassifR_examples/Vignettes/Vignettemsclassifr_Klebsiellav3.html> and <https://agodmer.github.io/MSclassifR_examples/Vignettes/Vignettemsclassifr_DAv3.html>.
URL: https://github.com/agodmer/MSclassifR_examples
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, fuzzyjoin, VSURF, metap, xgboost, glmnet,
        performanceEstimation, mltools, mclust, UBL, stats, limma, car,
        vita, randomForest
Suggests: knitr, rmarkdown,
NeedsCompilation: yes
RoxygenNote: 7.1.1
Packaged: 2023-08-09 08:20:01 UTC; qgiaigia
Author: Alexandre Godmer [aut, cre],
  Quentin Giai Gianetto [aut],
  Karen Druart [aut]
Repository: CRAN
Date/Publication: 2023-08-09 09:00:06 UTC
Built: R 4.3.3; ; 2025-04-07 03:58:10 UTC; windows
