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README.md
In ChemmineOB: R interface to a subset of OpenBabel functionalities
ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the OpenBabel 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.
ChemmineOB is hosted on Bioconductor where you can find the
Release version and the
Development version.
Try the ChemmineOB package in your browser
Any scripts or data that you put into this service are public.
ChemmineOB documentation built on April 13, 2021, 6:03 p.m.
R Package Documentation
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We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the OpenBabel 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.
ChemmineOB is hosted on Bioconductor where you can find the Release version and the Development version.
Try the ChemmineOB package in your browser
Any scripts or data that you put into this service are public.
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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