bioconductor-chemmineob
R interface to a subset of OpenBabel functionalities
R interface to a subset of OpenBabel functionalities
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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.
Summary
R interface to a subset of OpenBabel functionalities
Last Updated
Dec 18, 2023 at 22:44
License
file LICENSE
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5.1K
Supported Platforms