specmine: Metabolomics and Spectral Data Analysis and Mining

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>.

Package details

AuthorChristopher 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]
MaintainerPedro Fontão <pedrofontao812004@gmail.com>
LicenseGPL (>= 2)
Version3.1.8
URL https://github.com/PedroFontao/specmine
Package repositoryView on CRAN
Installation Install the latest version of this package by entering the following in R:
install.packages("specmine")

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specmine documentation built on Aug. 5, 2026, 5:06 p.m.