ChemmineR
This is the released version of ChemmineR; for the devel version, see ChemmineR.
All Bioconductor versions of ChemmineR
3.24 (devel), 3.23 (release), 3.22, 3.21, 3.20, 3.19, 3.18, 3.17, 3.16, 3.15, 3.14, 3.13, 3.12, 3.11, 3.10, 3.9, 3.8, 3.7, 3.6, 3.5, 3.4, 3.3, 3.2, 3.1, 3.0, 2.14, 2.13, 2.12, 2.11, 2.10, 2.9, 2.8, 2.7, 2.6, 2.5
Cheminformatics Toolkit for R
Bioconductor version: 3.23 · Package version: 3.64.0
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"):
Y. Eddie Cao, Kevin Horan, Tyler Backman, Thomas Girke. ChemmineR: Cheminformatics Toolkit for R. doi:10.18129/B9.bioc.ChemmineR, R package version 3.64.0, https://bioconductor.org/packages/ChemmineR.
Generated from the package metadata; it may differ from the package's own citation.
Installation
To install this package, start R (version "4.6") 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.
Details
| Version | 3.64.0 |
| License | Artistic-2.0 |
| URL | https://github.com/girke-lab/ChemmineR |
| System Requirements | GNU make |
| Last updated | 2026-04-28 |
| In Bioconductor since | BioC 2.5 or earlier (R-2.10) (16 years) |
| Downloads rank | 257 of 2,418 |
| Source branch | RELEASE_3_23 |
| Build report | Bioconductor build system, r-universe |
| biocViews | BiomedicalInformatics, CellBasedAssays, Cheminformatics, Clustering, DataImport, Infrastructure, Metabolomics, MicrotitrePlateAssay, Pharmacogenetics, Pharmacogenomics, Proteomics, Software, Visualization |
| Package Short Url | https://bioconductor.org/packages/ChemmineR/ |
Documentation
To view documentation for the version of this package installed in your system, start R and enter:
browseVignettes("ChemmineR")| ChemmineR: Cheminformatics Toolkit for R | HTML | R Script |
| Reference Manual | ||
| NEWS | Text |
Download
Follow the installation instructions to use this package in your R session.
| Source package | ChemmineR_3.64.0.tar.gz |
| Windows binary (x86_64) | ChemmineR_3.64.0.zip |
| macOS binary (arm64) | ChemmineR_3.64.0.tgz |
| macOS binary (x86_64) | ChemmineR_3.64.0.tgz |
| Source Repository | git clone https://git.bioconductor.org/packages/ChemmineR |
| Source Repository (Developer Access) | git clone git@git.bioconductor.org:packages/ChemmineR |
| Package Downloads Report | Download Stats |
Dependencies
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
Suggests: RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL, BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineDrugs, png, rmarkdown, BiocManager, bibtex, codetools
Enhances: ChemmineOB
Reverse dependencies
Depends On Me (3): ChemmineDrugs, eiR, fmcsR
Imports Me (9): bioassayR, chemodiv, CompoundDb, customCMPdb, eiR, fmcsR, MetID, RMassBank, SubtypeDrug
Suggests Me (2): ChemmineOB, xnet