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.
| Version: | 1.5.10 |
| Depends: | R (≥ 2.0.0) |
| Imports: | XML, car, RCurl, RJSONIO, data.table, iterators, itertools, stringr, fingerprint, base64enc, methods |
| Suggests: | testthat |
| Published: | 2016-12-27 |
| Author: | Rajarshi Guha [aut, cre], John Buonagurio [ctb] |
| Maintainer: | Rajarshi Guha <rajarshi.guha at gmail.com> |
| License: | GPL-2 | GPL-3 [expanded from: GPL (≥ 2)] |
| URL: | https://github.com/rajarshi/cdkr, https://pubchem.ncbi.nlm.nih.gov/ |
| NeedsCompilation: | no |
| In views: | ChemPhys |
| CRAN checks: | rpubchem results |
| Reference manual: | rpubchem.pdf |
| Package source: | rpubchem_1.5.10.tar.gz |
| Windows binaries: | r-devel: rpubchem_1.5.10.zip, r-release: rpubchem_1.5.10.zip, r-oldrel: rpubchem_1.5.10.zip |
| macOS binaries: | r-release: rpubchem_1.5.10.tgz, r-oldrel: rpubchem_1.5.10.tgz |
| Old sources: | rpubchem archive |
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