ChemmineR
This is the development version of ChemmineR; for the stable release version, see ChemmineR.
Cheminformatics Toolkit for R
Bioconductor version: Development (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("ChemmineR")):
Installation
To install this package, start R (version "4.5") and enter:
if (!require("BiocManager", quietly = TRUE))
install.packages("BiocManager")
# The following initializes usage of Bioc devel
BiocManager::install(version='devel')
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")| ChemmineR | HTML | R Script |
| Reference Manual |
Details
| biocViews | BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, Metabolomics, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization |
| Version | 3.59.0 |
| In Bioconductor since | BioC 2.3 (R-2.8) (16 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 | CompoundDb, MetID, bioassayR, customCMPdb, eiR, fmcsR, chemodiv, DrugSim2DR, DRviaSPCN |
| Suggests Me | ChemmineOB, xnet |
| Links To Me | |
| Build Report | Build Report |
Package Archives
Follow Installation instructions to use this package in your R session.
| Source Package | ChemmineR_3.59.0.tar.gz |
| Windows Binary (x86_64) | |
| macOS Binary (x86_64) | |
| macOS Binary (arm64) | |
| Source Repository | git clone https://git.bioconductor.org/packages/ChemmineR |
| Source Repository (Developer Access) | git clone git@git.bioconductor.org:packages/ChemmineR |
| Bioc Package Browser | https://code.bioconductor.org/browse/ChemmineR/ |
| Package Short Url | https://bioconductor.org/packages/ChemmineR/ |
| Package Downloads Report | Download Stats |