rpubchem: rpubchem - Interface to the PubChem Collection

Access PubChem data (compounds, substance, assays). Structural information is provided in the form of SMILES strings. This package only provides access to a subset of the precalculated data stored by PubChem. Bio-assay data can be accessed to obtain descriptions as well as the actual data. It is also possible to search for assay ID's by keyword. Currently the main limitation is that only 1000 molecules can be downloaded at a time from the PubChem servers

Depends: R (≥ 2.0.0)
Imports: XML, car, RCurl, RJSONIO
Published: 2014-04-24
Author: Rajarshi Guha
Maintainer: Rajarshi Guha <rajarshi.guha at gmail.com>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
NeedsCompilation: no
In views: ChemPhys, WebTechnologies
CRAN checks: rpubchem results


Reference manual: rpubchem.pdf
Package source: rpubchem_1.5.0.2.tar.gz
Windows binaries: r-devel: rpubchem_1.5.0.2.zip, r-release: rpubchem_1.5.0.2.zip, r-oldrel: rpubchem_1.5.0.2.zip
OS X Snow Leopard binaries: r-release: rpubchem_1.5.0.2.tgz, r-oldrel: rpubchem_1.5.0.2.tgz
OS X Mavericks binaries: r-release: rpubchem_1.5.0.2.tgz
Old sources: rpubchem archive