girke-lab/ChemmineOB: R interface to a subset of OpenBabel functionalities
ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the OpelBabel C++ project. OpenBabel is an open source cheminformatics toolbox that includes utilities for structure format interconversions, descriptor calculations, compound similarity searching and more. ChemineOB aims to make a subset of these utilities available from within R. For non-developers, ChemineOB is primarily intended to be used from ChemmineR as an add-on package rather than used directly.
Getting started
Browse package contents
Package details |
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| Author | Kevin Horan, Thomas Girke |
| Bioconductor views | BiomedicalInformatics CellBasedAssays Cheminformatics Clustering DataImport Infrastructure Metabolomics MicrotitrePlateAssay Pharmacogenetics Pharmacogenomics Proteomics Visualization |
| Maintainer | Thomas Girke <thomas.girke@ucr.edu> |
| License | Artistic-2.0 |
| Version | 1.41.2 |
| URL | https://github.com/girke-lab/ChemmineOB |
| Package repository | View on GitHub |
| Installation |
Install the latest version of this package by entering the following in R:
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