specmine: Metabolomics and Spectral Data Analysis and Mining

Provides a set of methods for metabolomics data analysis, including data loading in different formats, pre-processing, metabolite identification, univariate and multivariate data analysis, machine learning, feature selection and pathway analysis. Case studies can be found on the website: <http://bio.di.uminho.pt/metabolomicspackage/index.html>. This package suggests 'rcytoscapejs', a package not in mainstream repositories. If you need to install it, use: devtools::install_github('cytoscape/r-cytoscape.js@v0.0.7').

Version: 3.1.5
Depends: R (≥ 4.0.0)
Imports: caret, e1071, ggplot2, impute, ellipse, GGally, pcaPP, compare, baseline, MASS, pls, readJDX, speaq, genefilter, RColorBrewer, grDevices, graphics, methods, stats, utils, Metrics, imputeTS, specmine.datasets, mrbin, plotly, narray
Suggests: ggdendro, reticulate, qdap, qpdf, scatterplot3d, MAIT, xcms, KEGGgraph, KEGGREST, rcytoscapejs, rgl, grid, curl, RCurl, pins, knitr, rmarkdown
Published: 2021-05-16
Author: Christopher Costa [aut], Marcelo Maraschin [aut], Miguel Rocha [aut, cre], Sara Cardoso [aut], Telma Afonso [aut], Bruno Pereira [aut], C. Beleites [cph], Jie Hao [cph],
Maintainer: Miguel Rocha <mrocha at di.uminho.pt>
BugReports: https://github.com/BioSystemsUM/specmine/issues
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
URL: https://github.com/BioSystemsUM/specmine
NeedsCompilation: no
SystemRequirements: Python (>=3.5.2) and the following python module: nmrglue.
Materials: README
CRAN checks: specmine results


Reference manual: specmine.pdf
Vignettes: User guide to analyze 2D-NMR metabolomics' experiments using *specmine* package
Package source: specmine_3.1.5.tar.gz
Windows binaries: r-devel: specmine_3.1.5.zip, r-release: specmine_3.1.5.zip, r-oldrel: specmine_3.1.5.zip
macOS binaries: r-release (arm64): not available, r-release (x86_64): specmine_3.1.5.tgz, r-oldrel: specmine_3.1.5.tgz
Old sources: specmine archive


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