rpubchem (1.5.10)

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An Interface to the PubChem Collection.

https://github.com/rajarshi/cdkr
https://pubchem.ncbi.nlm.nih.gov/
http://cran.r-project.org/web/packages/rpubchem

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 6 months ago.


5 previous versions

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Related packages: AnalyzeFMRI, CellularAutomaton, PET, PTAk, TIMP, WilcoxCV, bvls, chemCal, clustvarsel, compositions, drc, drm, elasticnet, fastICA, fmri, homals, kohonen, leaps, lspls, minpack.lm(20 best matches, based on common tags.)


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Visit rpubchem on R Graphical Manual.