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.

Documentation

Manual: rpubchem.pdf
Vignette: None available.

Maintainer: Rajarshi Guha <rajarshi.guha at gmail.com>

Author(s): Rajarshi Guha*, John Buonagurio*

Install package and any missing dependencies by running this line in your R console:

install.packages("rpubchem")

Depends R (>= 2.0.0)
Imports XML, car, RCurl, RJSONIO, data.table, iterators, itertools, stringr, fingerprint, base64enc, methods
Suggests testthat
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depends
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Package rpubchem
Materials
URL https://github.com/rajarshi/cdkr https://pubchem.ncbi.nlm.nih.gov/
Task Views ChemPhys
Version 1.5.10
Published 2016-12-27
License GPL (>= 2)
BugReports
SystemRequirements
NeedsCompilation no
Citation
CRAN checks rpubchem check results
Package source rpubchem_1.5.10.tar.gz