rpubchem: An Interface to the PubChem Collection

Access PubChem data (compounds, substance, assays) using R. Structural information is provided in the form of SMILES strings. It currently 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.

Version: 1.5.10
Depends: R (≥ 2.0.0)
Imports: XML, car, RCurl, RJSONIO, data.table, iterators, itertools, stringr, fingerprint, base64enc, methods
Suggests: testthat
Published: 2016-12-27
Author: Rajarshi Guha [aut, cre], John Buonagurio [ctb]
Maintainer: Rajarshi Guha <rajarshi.guha at gmail.com>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
URL: https://github.com/rajarshi/cdkr, https://pubchem.ncbi.nlm.nih.gov/
NeedsCompilation: no
In views: ChemPhys
CRAN checks: rpubchem results

Downloads:

Reference manual: rpubchem.pdf
Package source: rpubchem_1.5.10.tar.gz
Windows binaries: r-devel: rpubchem_1.5.10.zip, r-release: rpubchem_1.5.10.zip, r-oldrel: rpubchem_1.5.10.zip
OS X Mavericks binaries: r-release: rpubchem_1.5.10.tgz, r-oldrel: rpubchem_1.5.10.tgz
Old sources: rpubchem archive

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