rpubchem: rpubchem - Interface to the PubChem Collection

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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

Author
Rajarshi Guha <rajarshi.guha@gmail.com>
Date of publication
2014-04-24 15:23:55
Maintainer
Rajarshi Guha <rajarshi.guha@gmail.com>
License
GPL (>= 2)
Version
1.5.0.2

View on CRAN

Man pages

findaid
Search for Assay ID's
getadesc
Get An Assay Description
getaidcid
Get Assay ID Based on Compound Activity
getassay
Get a PubChem Bio-Assay
getassaysummary
Get a PubChem Bio-Assay Summary
getcid
Get PubChem Compound Information
getcsid
Get PubChem Substance ID's Associated With A Compound
getsid
Get PubChem Substance Information

Files in this package

rpubchem
rpubchem/NAMESPACE
rpubchem/R
rpubchem/R/bioassayQueries.R
rpubchem/R/getassay.R
rpubchem/MD5
rpubchem/DESCRIPTION
rpubchem/man
rpubchem/man/getaidcid.Rd
rpubchem/man/getadesc.Rd
rpubchem/man/getsid.Rd
rpubchem/man/getcid.Rd
rpubchem/man/getcsid.Rd
rpubchem/man/getassaysummary.Rd
rpubchem/man/getassay.Rd
rpubchem/man/findaid.Rd