ChemmineR : Cheminformatics Toolkit for R

Package: ChemmineR
Type: Package
Title: Cheminformatics Toolkit for R
Version: 2.24.2
Date: 2016-01-04
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
Imports: rjson, graphics, stats, RCurl, DBI, digest, BiocGenerics, Rcpp
(>= 0.11.0), ggplot2
Suggests: RSQLite, scatterplot3d, gplots, fmcsR, snow, RPostgreSQL,
BiocStyle, knitr, knitcitations, knitrBootstrap, ChemmineOB (>=
1.3.8), ChemmineDrugs, grid, gridExtra, png
Enhances: ChemmineOB
URL: https://github.com/girke-lab/ChemmineR
VignetteBuilder: knitr
LinkingTo: Rcpp, BH
SystemRequirements: GNU make
NeedsCompilation: yes
Packaged: 2016-05-16 01:59:58 UTC; biocbuild