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.

AuthorRajarshi Guha [aut, cre], John Buonagurio [ctb]
Date of publication2016-12-27 12:03:57
MaintainerRajarshi Guha <rajarshi.guha@gmail.com>
LicenseGPL (>= 2)
https://github.com/rajarshi/cdkr, https://pubchem.ncbi.nlm.nih.gov/

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