Package: specmine
Type: Package
Title: Metabolomics and Spectral Data Analysis and Mining
Version: 3.1.8
Authors@R: c(
    person(given = "Christopher", family = "Costa",
           email = "chrisbcl@hotmail.com", role = "aut"),
    person(given = "Marcelo", family = "Maraschin",
           email = "mtocsy@gmail.com", role = "aut"),
    person(given = "Miguel", family = "Rocha",
           email = "mrocha@di.uminho.pt", role = "aut"),
    person(given = "Sara", family = "Cardoso",
           email = "saracardoso501@gmail.com", role = "aut"),
    person(given = "Telma", family = "Afonso",
           email = "telma.afonso94@gmail.com", role = "aut"),
    person(given = "Bruno", family = "Pereira",
           email = "pereirinha_bp@hotmail.com", role = "aut"),
    person(given = "Pedro", family = "Fontão",
           email = "pedrofontao812004@gmail.com", role = c("aut", "cre")),
    person(given = "C.", family = "Beleites", role = "cph"),
    person(given = "Jie", family = "Hao", role = "cph"))
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
VignetteBuilder: knitr
Description: 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>.
License: GPL (>= 2)
URL: https://github.com/PedroFontao/specmine
BugReports: https://github.com/PedroFontao/specmine/issues
Encoding: UTF-8
LazyData: true
SystemRequirements: Python (>= 3.5.2), Python module 'nmrglue'
Config/roxygen2/version: 8.0.0
NeedsCompilation: no
Packaged: 2026-07-27 15:33:22 UTC; pedrofontao
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@gmail.com>
Repository: CRAN
Date/Publication: 2026-08-05 09:20:02 UTC
Built: R 4.7.0; ; 2026-08-25 05:04:36 UTC; windows
