ChemmineOB: R interface to a subset of OpenBabel functionalities
Version 1.14.0

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.

Package details

AuthorKevin Horan, Thomas Girke
Bioconductor views BiomedicalInformatics CellBasedAssays Cheminformatics Clustering DataImport Infrastructure MicrotitrePlateAssay Pharmacogenetics Pharmacogenomics Proteomics Visualization
MaintainerThomas Girke <[email protected]>
Licensefile LICENSE
Package repositoryView on Bioconductor
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ChemmineOB documentation built on May 31, 2017, 11:31 a.m.