Package: ChemmineR
Type: Package
Title: Cheminformatics Toolkit for R
Version: 3.60.0
Date: 2025-04-03
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
git_url: https://git.bioconductor.org/packages/ChemmineR
git_branch: RELEASE_3_21
git_last_commit: 0061b9b
git_last_commit_date: 2025-04-15
Repository: Bioconductor 3.21
Date/Publication: 2025-04-15
NeedsCompilation: yes
Packaged: 2025-04-15 23:39:19 UTC; biocbuild
Built: R 4.5.0; x86_64-w64-mingw32; 2025-04-16 14:05:49 UTC; windows
Archs: x64
