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/[email protected]').


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install.packages("specmine")

3.0.2 by Miguel Rocha, a month ago


Browse source code at https://github.com/cran/specmine


Authors: Christopher Costa <[email protected]> [aut] , Marcelo Maraschin <[email protected]> [aut] , Miguel Rocha <[email protected]> [aut, cre] , Sara Cardoso <[email protected]> [aut] , Telma Afonso <[email protected]> [aut] , C. Beleites [cph] , Jie Hao [cph]


Documentation:   PDF Manual  


GPL (>= 2) license


Imports hyperSpec, caret, e1071, ggplot2, impute, ellipse, GGally, pcaPP, compare, baseline, MASS, pls, readJDX, speaq, genefilter, RColorBrewer, grDevices, graphics, methods, stats, utils, Metrics

Suggests ggdendro, reticulate, qdap, scatterplot3d, MAIT, xcms, KEGGgraph, KEGGREST, rcytoscapejs, rgl, grid, curl, RCurl

System requirements: Python (>=3.5.2) and the following python module: nmrglue.


See at CRAN