DOI: 10.18129/B9.bioc.Rchemcpp    

Similarity measures for chemical compounds

Bioconductor version: Release (3.6)

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.

Author: Michael Mahr, Guenter Klambauer

Maintainer: Guenter Klambauer <klambauer at bioinf.jku.at>

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biocViews Bioinformatics, CellBasedAssays, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization
Version 2.16.0
In Bioconductor since BioC 2.13 (R-3.0) (4.5 years)
License GPL (>= 2.1)
Depends R (>= 2.15.0)
Imports Rcpp (>= 0.11.1), methods, ChemmineR
LinkingTo Rcpp
Suggests apcluster, kernlab
SystemRequirements GNU make
URL http://www.bioinf.jku.at/software/Rchemcpp
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Imports Me
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Source Package Rchemcpp_2.16.0.tar.gz
Windows Binary Rchemcpp_2.16.0.zip (32- & 64-bit)
Mac OS X 10.11 (El Capitan) Rchemcpp_2.16.0.tgz
Source Repository git clone https://git.bioconductor.org/packages/Rchemcpp
Package Short Url http://bioconductor.org/packages/Rchemcpp/
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