webchem is a R package to retrieve chemical information from the web. This package interacts with a suite of web APIs to retrieve chemical information.
The functions in the package that hit a specific API have a prefix and suffix separated by an underscore (
prefix_suffix()). They follow the format of
source_functionality, with the exception of functions that retrieve database identifiers which follow the format of
cs_compinfo uses ChemSpider to retrieve compound informations and
get_csid() retrieves ChemSpider IDs.
Do you use chemical information databases in your work? Help us help you by filling out our short survey at https://forms.gle/V7dfGGn73dkesn5L6.
webchem survey allows us to learn which databases you use and how you interact with chemical data. This is extremely valuable information for us and guides our development efforts. The survey takes about 5 minutes to fill out.
At least some of the data in the following sources is accesible through
webchem functions. To learn more about what is available, browse the documentation here.
Some ChemSpider functions require an API key. Please register at RSC (https://developer.rsc.org/) to retrieve an API key.
Have you used
webchem in your work? Please let us know by opening an issue or making a pull request to edit this section!
If you use
webchem in a publication, please cite our paper:
Without the fantastic web services
webchem wouldn’t be here. Therefore, kudos to the web service providers and developers! Please remember to acknowledge these data resources in your work using
Check out our contribution guide here.