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DESCRIPTION
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DESCRIPTION
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Package: rpubchem
Version: 1.5.18
Date: 2019-07-21
Title: An Interface to the PubChem Collection
Authors@R: c(person("Rajarshi", "Guha", email="[email protected]", role=c("aut","cre")),
person("John", "Buonagurio", email="[email protected]", role=c("ctb")))
Author: Rajarshi Guha [aut, cre],
John Buonagurio [ctb]
Maintainer: Rajarshi Guha <[email protected]>
Depends:
R (>= 2.0.0)
Imports:
XML,
RCurl,
RJSONIO,
data.table,
iterators,
itertools,
stringr,
fingerprint,
base64enc,
methods
Suggests:
testthat
License: GPL (>= 2)
URL: https://github.com/rajarshi/cdkr, https://pubchem.ncbi.nlm.nih.gov/
Description: Access PubChem data (compounds, substance, assays) using R
(see <https://pubchem.ncbi.nlm.nih.gov/> for more information about PubChem).
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.
RoxygenNote: 5.0.1