MSclassifR: Automated Classification of Mass Spectra
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 |
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