To install this package, start R and enter:

## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineR")

In most cases, you don't need to download the package archive at all.

ChemmineR

DOI: 10.18129/B9.bioc.ChemmineR

Cheminformatics Toolkit for R

Bioconductor version: Release (3.5)

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 and enter:

## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineR")

Documentation

HTML R Script ChemmineR
PDF Reference Manual
Text README
Text NEWS

Details

biocViews BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization
Version 2.28.3
In Bioconductor since BioC 2.3 (R-2.8) (9 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
LinkingTo Rcpp, BH
Suggests RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineOB(>= 1.3.8), ChemmineDrugs, png, rmarkdown
SystemRequirements GNU make
Enhances ChemmineOB
URL https://github.com/girke-lab/ChemmineR
Depends On Me ChemmineDrugs, eiR, fmcsR, PGPC
Imports Me bioassayR, BioMedR, eiR, fmcsR, Rchemcpp, Rcpi
Suggests Me ChemmineOB
Build Report

Package Archives

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

Source Package ChemmineR_2.28.3.tar.gz
Windows Binary ChemmineR_2.28.3.zip (32- & 64-bit)
Mac OS X 10.11 (El Capitan) ChemmineR_2.28.3.tgz
Source Repository git clone https://git.bioconductor.org/packages/ChemmineR
Package Short Url http://bioconductor.org/packages/ChemmineR/
Package Downloads Report Download Stats

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