Package: specmine
Type: Package
Title: Metabolomics and Spectral Data Analysis and Mining
Version: 4.0.0
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 = "Rafael", family = "Moreira",
           email = "rafael8moreira@gmail.com", role = "aut"),
    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, Matrix,
        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: 8.1.0
Config/pak/sysreqs: cmake make libicu-dev libjpeg-dev libpng-dev
        libuv1-dev libxml2-dev libssl-dev python3 zlib1g-dev
Repository: https://pedrofontao.r-universe.dev
Date/Publication: 2026-09-28 13:00:53 UTC
RemoteUrl: https://github.com/pedrofontao/specmine
RemoteRef: HEAD
RemoteSha: 141acb3a6d56183f4770b01585407144e8522bcf
NeedsCompilation: no
Packaged: 2026-09-28 16:30:35 UTC; root
Author: Christopher Costa [aut],
  Marcelo Maraschin [aut],
  Miguel Rocha [aut],
  Sara Cardoso [aut],
  Telma Afonso [aut],
  Bruno Pereira [aut],
  Pedro Fontão [aut, cre],
  Rafael Moreira [aut],
  C. Beleites [cph],
  Jie Hao [cph]
Maintainer: Pedro Fontão <pedrofontao812004@gmail.com>