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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: | 0.3.3 |
| 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 aphp.fr> |
| License: | GPL (≥ 3) |
| URL: | https://github.com/agodmer/MSclassifR_examples |
| NeedsCompilation: | yes |
| CRAN checks: | MSclassifR results |
| Reference manual: | MSclassifR.pdf |
| Package source: | MSclassifR_0.3.3.tar.gz |
| Windows binaries: | r-devel: MSclassifR_0.3.3.zip, r-release: MSclassifR_0.3.3.zip, r-oldrel: MSclassifR_0.3.3.zip |
| macOS binaries: | r-release (arm64): MSclassifR_0.3.3.tgz, r-oldrel (arm64): MSclassifR_0.3.3.tgz, r-release (x86_64): MSclassifR_0.3.3.tgz, r-oldrel (x86_64): MSclassifR_0.3.3.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.