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To install this package, start R and enter:
## try http if https is not available
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineR")
In most cases, you don't need to download the package archive at all.
ChemmineR
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Cheminformatics Toolkit for R
Bioconductor version: Release (3.1)
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 is not available
source("https://bioconductor.org/biocLite.R")
biocLite("ChemmineR")
Documentation
To view documentation for the version of this package installed in your system, start R and enter:
browseVignettes("ChemmineR")
| HTML | R Script | ChemmineR |
| Reference Manual | ||
| Text | README | |
| Text | NEWS |
Details
| biocViews | BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization |
| Version | 2.20.4 |
| In Bioconductor since | BioC 2.3 (R-2.8) (7 years) |
| License | Artistic-2.0 |
| Depends | R (>= 2.10.0), methods |
| Imports | rjson, graphics, stats, RCurl, DBI, digest, BiocGenerics, Rcpp (>= 0.11.0), ggplot2 |
| LinkingTo | Rcpp, BH |
| Suggests | RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineOB(>= 1.3.8), ChemmineDrugs, grid, gridExtra, png |
| SystemRequirements | |
| Enhances | ChemmineOB |
| URL | https://github.com/girke-lab/ChemmineR-release |
| Depends On Me | ChemmineDrugs, eiR, fmcsR |
| Imports Me | eiR, fmcsR, Rchemcpp, Rcpi |
| Suggests Me | bioassayR, ChemmineOB |
| Build Report |
Package Archives
Follow Installation instructions to use this package in your R session.
| Package Source | ChemmineR_2.20.4.tar.gz |
| Windows Binary | ChemmineR_2.20.4.zip (32- & 64-bit) |
| Mac OS X 10.6 (Snow Leopard) | ChemmineR_2.20.4.tgz |
| Mac OS X 10.9 (Mavericks) | ChemmineR_2.20.4.tgz |
| Subversion source | (username/password: readonly) |
| Git source | https://github.com/Bioconductor-mirror/ChemmineR/tree/release-3.1 |
| Package Short Url | http://bioconductor.org/packages/ChemmineR/ |
| Package Downloads Report | Download Stats |
Documentation »
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