Access PubChem data (compounds, substance, assays) using R (see <https://pubchem.ncbi.nlm.nih.gov/> 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.
Package details |
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Author | Rajarshi Guha [aut, cre], John Buonagurio [ctb] |
Maintainer | Rajarshi Guha <rajarshi.guha@gmail.com> |
License | GPL (>= 2) |
Version | 1.5.18 |
URL | https://github.com/rajarshi/cdkr https://pubchem.ncbi.nlm.nih.gov/ |
Package repository | View on GitHub |
Installation |
Install the latest version of this package by entering the following in R:
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