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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 |
| Reference manual: | MSclassifR.pdf |
| Package source: | MSclassifR_0.4.0.tar.gz |
| Windows binaries: | r-devel: MSclassifR_0.4.0.zip, r-release: MSclassifR_0.4.0.zip, r-oldrel: MSclassifR_0.4.0.zip |
| macOS binaries: | r-release (arm64): MSclassifR_0.3.3.tgz, r-oldrel (arm64): MSclassifR_0.3.3.tgz, r-release (x86_64): MSclassifR_0.4.0.tgz, r-oldrel (x86_64): MSclassifR_0.4.0.tgz |
| Old sources: | MSclassifR archive |
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These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.