Package: MSclassifR
Type: Package
Title: Automated Classification of Mass Spectra
Version: 0.2.0
Authors@R: c(
    person("Alexandre", "Godmer", role=c("aut", "cre"), email="alexandre.godmer@aphp.fr"),
    person("Quentin", "Giai Gianetto", 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. Two 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_Ecrobia.html> and <https://agodmer.github.io/MSclassifR_examples/Vignettes/Vignettemsclassifr_Klebsiella.html>.
License: GPL (>= 3)
Encoding: UTF-8
LazyData: true
Depends: R (>= 4.0)
Imports: e1071, MALDIquant, MALDIrppa, MALDIquantForeign, mixOmics,
        caret, reshape2, ggplot2, nnet, dplyr, fuzzyjoin, VSURF, metap,
        xgboost, glmnet,
Suggests: knitr, rmarkdown,
NeedsCompilation: yes
RoxygenNote: 7.1.1
Packaged: 2022-02-23 18:00:24 UTC; alexa
Author: Alexandre Godmer [aut, cre],
  Quentin Giai Gianetto [aut]
Repository: CRAN
Date/Publication: 2022-02-25 12:20:07 UTC
Built: R 4.0.5; ; 2022-04-21 13:27:20 UTC; windows
