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 |