MSclassifR: Automated Classification of Mass Spectra

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: <>, <> and <>.

Version: 0.3.3
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
Published: 2023-08-09
DOI: 10.32614/CRAN.package.MSclassifR
Author: Alexandre Godmer [aut, cre], Quentin Giai Gianetto [aut], Karen Druart [aut]
Maintainer: Alexandre Godmer <alexandre.godmer at>
License: GPL (≥ 3)
NeedsCompilation: yes
CRAN checks: MSclassifR results


Reference manual: MSclassifR.pdf


Package source: MSclassifR_0.3.3.tar.gz
Windows binaries: r-devel:, r-release:, r-oldrel:
macOS binaries: r-release (arm64): MSclassifR_0.3.3.tgz, r-oldrel (arm64): MSclassifR_0.3.3.tgz, r-release (x86_64): MSclassifR_0.3.3.tgz, r-oldrel (x86_64): MSclassifR_0.3.3.tgz
Old sources: MSclassifR archive


Please use the canonical form to link to this page.