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Bioconductor - ChemmineR

ChemmineR

This is the released version of ChemmineR; for the devel version, see ChemmineR.

Cheminformatics Toolkit for R

Bioconductor version: Release (3.21)

ChemmineR is a cheminformatics package for analyzing drug-like small molecule data in R. Its latest version contains functions for efficient processing of large numbers of molecules, physicochemical/structural property predictions, structural similarity searching, classification and clustering of compound libraries with a wide spectrum of algorithms. In addition, it offers visualization functions for compound clustering results and chemical structures.

Author: Y. Eddie Cao, Kevin Horan, Tyler Backman, Thomas Girke

Maintainer: Thomas Girke <thomas.girke at ucr.edu>

Citation (from within R, enter citation("ChemmineR")): Installation

To install this package, start R (version "4.5") and enter:


if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

BiocManager::install("ChemmineR")

For older versions of R, please refer to the appropriate Bioconductor release.

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("ChemmineR")
Details biocViews BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, Metabolomics, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization Version 3.60.0 In Bioconductor since BioC 2.3 (R-2.8) (16.5 years) License Artistic-2.0 Depends R (>= 2.10.0), methods Imports rjson, graphics, stats, RCurl, DBI, digest, BiocGenerics, Rcpp (>= 0.11.0), ggplot2, grid, gridExtra, png, base64enc, DT, rsvg, jsonlite, stringi System Requirements GNU make URL https://github.com/girke-lab/ChemmineR See More Suggests RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineDrugs, png, rmarkdown, BiocManager, bibtex, codetools Linking To Rcpp, BH Enhances ChemmineOB Depends On Me eiR, fmcsR, ChemmineDrugs Imports Me bioassayR, CompoundDb, customCMPdb, eiR, fmcsR, MetID, RMassBank, chemodiv, DrugSim2DR Suggests Me ChemmineOB, xnet Links To Me Build Report Build Report Package Archives

Follow Installation instructions to use this package in your R session.

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