rpubchem (1.5.10)

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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.

Maintainer: Rajarshi Guha
Author(s): Rajarshi Guha [aut, cre], John Buonagurio [ctb]

License: GPL (>= 2)

Uses: base64enc, car, data.table, fingerprint, iterators, itertools, RCurl, RJSONIO, stringr, XML, testthat

Released almost 3 years ago.

5 previous versions



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Visit rpubchem on R Graphical Manual.