Package: ChemmineR
Type: Package
Title: Cheminformatics Toolkit for R
Version: 3.65.0
Date: 2026-03-12
Author: Y. Eddie Cao, Kevin Horan, Tyler Backman, Thomas Girke
Maintainer: Thomas Girke <thomas.girke@ucr.edu>
Description: 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.
License: Artistic-2.0
Depends: R (>= 2.10.0), methods
biocViews: Cheminformatics, BiomedicalInformatics, Pharmacogenetics,
        Pharmacogenomics, MicrotitrePlateAssay, CellBasedAssays,
        Visualization, Infrastructure, DataImport, Clustering,
        Proteomics,Metabolomics
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
URL: https://github.com/girke-lab/ChemmineR
VignetteBuilder: knitr
LinkingTo: Rcpp, BH
SystemRequirements: GNU make
Config/pak/sysreqs: cmake make libicu-dev libpng-dev librsvg2-dev
        libuv1-dev
Repository: https://bioc.r-universe.dev
Date/Publication: 2026-04-28 12:33:26 UTC
RemoteUrl: https://github.com/bioc/ChemmineR
RemoteRef: HEAD
RemoteSha: 0e099c2464c26cdaff2850231bd53cacfae5205b
NeedsCompilation: yes
Packaged: 2026-06-23 15:22:25 UTC; root