This package is for version 3.8 of Bioconductor; for the stable, up-to-date release version, see ChemmineR.
Bioconductor version: 3.8
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")
):
To install this package, start R (version "3.5") and enter:
if (!requireNamespace("BiocManager", quietly = TRUE)) install.packages("BiocManager") BiocManager::install("ChemmineR")
For older versions of R, please refer to the appropriate Bioconductor release.
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 |
biocViews | BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, Metabolomics, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization |
Version | 3.34.1 |
In Bioconductor since | BioC 2.3 (R-2.8) (10.5 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 |
LinkingTo | Rcpp, BH |
Suggests | RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineOB(>= 1.16.1), ChemmineDrugs, png, rmarkdown, BiocManager |
SystemRequirements | GNU make |
Enhances | ChemmineOB |
URL | https://github.com/girke-lab/ChemmineR |
Depends On Me | ChemmineDrugs, eiR, fmcsR, PGPC |
Imports Me | bioassayR, eiR, fmcsR, MetID, Rchemcpp, Rcpi |
Suggests Me | ChemmineOB |
Links To Me | |
Build Report |
Follow Installation instructions to use this package in your R session.
Source Package | ChemmineR_3.34.1.tar.gz |
Windows Binary | ChemmineR_3.34.1.zip (32- & 64-bit) |
Mac OS X 10.11 (El Capitan) | ChemmineR_3.34.1.tgz |
Source Repository | git clone https://git.bioconductor.org/packages/ChemmineR |
Source Repository (Developer Access) | git clone git@git.bioconductor.org:packages/ChemmineR |
Package Short Url | http://bioconductor.org/packages/ChemmineR/ |
Package Downloads Report | Download Stats |
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