Provides methods for metabolomics and spectral data analysis, including data import, preprocessing, visualization, univariate and multivariate analysis, machine learning, feature selection, and pathway analysis. The package supports analytical workflows for different data types used in metabolomics and spectroscopy. Some optional functionality uses the suggested packages 'cyjShiny' and 'specmine.datasets'. The package 'specmine.datasets' is maintained separately at <https://github.com/PedroFontao/specmine.datasets>.
| Version: | 3.1.8 |
| Depends: | R (≥ 4.0.0) |
| Imports: | baseline, caret, compare, ellipse, genefilter, GGally, ggplot2, grDevices, graphics, impute, imputeTS, MASS, methods, Metrics, narray, pcaPP, plotly, pls, RColorBrewer, readJDX, stats, utils |
| Suggests: | clusterCrit, curl, dbscan, fastICA, ggdendro, KEGGgraph, KEGGREST, knitr, MAIT, mclust, pins, qdap, qpdf, RCurl, cyjShiny, reticulate, rgl, Rtsne, rmarkdown, scatterplot3d, specmine.datasets, uwot, randomForest, xcms |
| Published: | 2026-08-05 |
| DOI: | 10.32614/CRAN.package.specmine |
| Author: | Christopher Costa [aut], Marcelo Maraschin [aut], Miguel Rocha [aut], Sara Cardoso [aut], Telma Afonso [aut], Bruno Pereira [aut], Pedro Fontão [aut, cre], C. Beleites [cph], Jie Hao [cph] |
| Maintainer: | Pedro Fontão <pedrofontao812004 at gmail.com> |
| BugReports: | https://github.com/PedroFontao/specmine/issues |
| License: | GPL-2 | GPL-3 [expanded from: GPL (≥ 2)] |
| URL: | https://github.com/PedroFontao/specmine |
| NeedsCompilation: | no |
| SystemRequirements: | Python (>= 3.5.2), Python module 'nmrglue' |
| Materials: | NEWS |
| CRAN checks: | specmine results |
| Reference manual: | specmine.html , specmine.pdf |
| Vignettes: |
User guide to analyze 2D-NMR metabolomics' experiments using *specmine* package (source, R code) |
| Package source: | specmine_3.1.8.tar.gz |
| Windows binaries: | r-devel: specmine_3.1.8.zip, r-release: specmine_3.1.8.zip, r-oldrel: specmine_3.1.8.zip |
| macOS binaries: | r-release (arm64): specmine_3.1.8.tgz, r-oldrel (arm64): specmine_3.1.8.tgz, r-release (x86_64): specmine_3.1.8.tgz, r-oldrel (x86_64): specmine_3.1.8.tgz |
| Old sources: | specmine archive |
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