Package: ChemmineR
Type: Package
Title: Cheminformatics Toolkit for R
Version: 3.62.0
Date: 2025-09-9
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: make libicu-dev libpng-dev librsvg2-dev
Repository: https://bioc-release.r-universe.dev
Date/Publication: 2025-10-29 14:01:35 UTC
RemoteUrl: https://github.com/bioc/ChemmineR
RemoteRef: RELEASE_3_22
RemoteSha: 86670855da49f02bc9e410ca546ff7ed3db4e738
NeedsCompilation: yes
Packaged: 2026-02-23 09:50:08 UTC; root
Built: R 4.5.2; x86_64-w64-mingw32; 2026-02-23 09:52:08 UTC; windows
Archs: x64
