CDK-R/rpubchem: An Interface to the PubChem Collection

Access PubChem data (compounds, substance, assays) using R (see <> for more information about PubChem). 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.

Getting started

Package details

AuthorRajarshi Guha [aut, cre], John Buonagurio [ctb]
MaintainerRajarshi Guha <[email protected]>
LicenseGPL (>= 2)
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
CDK-R/rpubchem documentation built on Nov. 6, 2019, 3:59 a.m.