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To install this package, start R and enter:
## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("Rchemcpp")
In most cases, you don't need to download the package archive at all.
Rchemcpp
|
This package is for version 3.3 of Bioconductor; for the stable, up-to-date release version, see Rchemcpp.
Similarity measures for chemical compounds
Bioconductor version: 3.3
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>
Citation (from within R,
enter citation("Rchemcpp")):
Installation
To install this package, start R and enter:
## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("Rchemcpp")
Documentation
To view documentation for the version of this package installed in your system, start R and enter:
browseVignettes("Rchemcpp")
| R Script | Rchemcpp | |
| Reference Manual |
Details
| biocViews | Bioinformatics, CellBasedAssays, Clustering, DataImport, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization |
| Version | 2.10.0 |
| In Bioconductor since | BioC 2.13 (R-3.0) (3 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 |
| Enhances | |
| URL | http://www.bioinf.jku.at/software/Rchemcpp |
| Depends On Me | |
| Imports Me | |
| Suggests Me | |
| Build Report |
Package Archives
Follow Installation instructions to use this package in your R session.
| Package Source | Rchemcpp_2.10.0.tar.gz |
| Windows Binary | Rchemcpp_2.10.0.zip (32- & 64-bit) |
| Mac OS X 10.9 (Mavericks) | Rchemcpp_2.10.0.tgz |
| Subversion source | (username/password: readonly) |
| Git source | https://github.com/Bioconductor-mirror/Rchemcpp/tree/release-3.3 |
| Package Short Url | http://bioconductor.org/packages/Rchemcpp/ |
| Package Downloads Report | Download Stats |
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