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: <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>.
| Version: |
0.3.0 |
| Depends: |
R (≥ 4.0), cp4p, caret, statmod |
| Imports: |
e1071, MALDIquant, MALDIrppa, MALDIquantForeign, mixOmics, reshape2, ggplot2, nnet, dplyr, fuzzyjoin, VSURF, metap, xgboost, glmnet, performanceEstimation, mltools, mclust, UBL, stats, limma, car |
| Suggests: |
knitr, rmarkdown |
| Published: |
2022-08-13 |
| Author: |
Alexandre Godmer [aut, cre],
Quentin Giai Gianetto [aut] |
| Maintainer: |
Alexandre Godmer <alexandre.godmer at aphp.fr> |
| License: |
GPL (≥ 3) |
| NeedsCompilation: |
yes |
| CRAN checks: |
MSclassifR results |
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