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 and feature selection. Case studies can be found on the website: http://darwin.di.uminho.pt/metabolomics .


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Reference manual

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install.packages("specmine")

1.0 by Christopher Costa, 2 years ago


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


Authors: Christopher Costa <chrisbcl@hotmail.com>, Marcelo Maraschin <mtocsy@gmail.com>, Miguel Rocha <mrocha@di.uminho.pt>


Documentation:   PDF Manual  


GPL (>= 2) license


Imports compare, hyperSpec, ChemoSpec, baseline, rgl, Metrics, GGally, ggplot2, ellipse, ggdendro, caret, pls, pcaPP, RColorBrewer, grid, methods, qdap, MASS, scatterplot3d, xcms, MAIT, genefilter, impute


See at CRAN