Package: Rchemcpp
Type: Package
Title: Similarity measures for chemical compounds
Version: 2.18.0
Date: 2015-06-23
Author: Michael Mahr, Guenter Klambauer
Maintainer: Guenter Klambauer <klambauer@bioinf.jku.at>
Description: The Rchemcpp package implements the marginalized graph
        kernel and extensions, Tanimoto kernels, graph kernels,
        pharmacophore and 3D kernels suggested for measuring the
        similarity of molecules.
biocViews: Bioinformatics, CellBasedAssays, Clustering, DataImport,
        Infrastructure, MicrotitrePlateAssay, Proteomics, Software,
        Visualization
License: GPL (>= 2.1)
URL: http://www.bioinf.jku.at/software/Rchemcpp
Depends: R (>= 2.15.0)
Imports: Rcpp (>= 0.11.1), methods, ChemmineR
Suggests: apcluster, kernlab
LinkingTo: Rcpp
SystemRequirements: GNU make
RcppModules: Rmolecule, Rmoleculeset, Relements, spectrumhelper,
        spectrum3Dhelper, subtreehelper
Collate: 'getMoleculeNamesFromSDF.R' 'sd2gram3Dpharma.R'
        'sd2gram3Dspectrum.R' 'sd2gram.R' 'sd2gramSpectrum.R'
        'sd2gramSubtree.R' 'utility.R' 'zzz.R' 'roxygen.R' 'methods.R'
NeedsCompilation: yes
Packaged: 2018-04-30 23:49:34 UTC; biocbuild
Built: R 3.4.1; x86_64-apple-darwin14.5.0; 2018-10-31 08:21:04 UTC; unix
