rpubchem - Interface to the PubChem Collection CRAN Task View: ChemPhys (http://CRAN.R-project.org/view=ChemPhys) 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 Software Depends: R (>= 2.0.0), XML, car, RCurl Rajarshi Guha <rajarshi.guha@gmail.com> Rajarshi Guha <rajarshi.guha@gmail.com> GPL (>= 2) 2009-11-20 application/tgz http://CRAN.R-project.org/package=rpubchem