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rpubchem: An Interface to the PubChem Collection
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.
Getting started
Browse package contents
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 | 1.5.10 |
| URL | https://github.com/rajarshi/cdkr https://pubchem.ncbi.nlm.nih.gov/ |
| Package repository | View on CRAN |
| Installation |
Install the latest version of this package by entering the following in R:
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Try the rpubchem package in your browser
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