Rchemcpp
This package is deprecated. It will probably be removed from Bioconductor. Please refer to the package end-of-life guidelines for more information.
This package is for version 3.10 of Bioconductor. This package has been removed from Bioconductor. For the last stable, up-to-date release version, see Rchemcpp.
Similarity measures for chemical compounds
Bioconductor version: 3.10
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("Rchemcpp")):
Installation
To install this package, start R (version "3.6") and enter:
if (!require("BiocManager", quietly = TRUE))
install.packages("BiocManager")
BiocManager::install("Rchemcpp")
For older versions of R, please refer to the appropriate Bioconductor release.
Documentation
| Reference Manual |
Details
| biocViews | Bioinformatics, CellBasedAssays, Clustering, DataImport, ImmunoOncology, Infrastructure, MicrotitrePlateAssay, Proteomics, Software, Visualization |
| Version | 2.24.0 |
| In Bioconductor since | BioC 2.13 (R-3.0) (10.5 years) |
| License | GPL (>= 2.1) |
| Depends | R (>= 2.15.0) |
| Imports | Rcpp (>= 0.11.1), methods, ChemmineR |
| System Requirements | GNU make |
| URL | http://www.bioinf.jku.at/software/Rchemcpp |
See More
| Suggests | apcluster, kernlab |
| Linking To | Rcpp |
| Enhances | |
| Depends On Me | |
| Imports Me | |
| Suggests Me | |
| Links To Me | |
| Build Report | Build Report |
Package Archives
Follow Installation instructions to use this package in your R session.
| Source Package | |
| Windows Binary | Rchemcpp_2.24.0.zip (32- & 64-bit) |
| Mac OS X 10.11 (El Capitan) | Rchemcpp_2.24.0.tgz |
| Source Repository | git clone https://git.bioconductor.org/packages/Rchemcpp |
| Source Repository (Developer Access) | git clone git@git.bioconductor.org:packages/Rchemcpp |
| Package Short Url | https://bioconductor.org/packages/Rchemcpp/ |
| Package Downloads Report | Download Stats |
| Old Source Packages for BioC 3.10 | Source Archive |