knitr::opts_chunk$set( warning = FALSE, message = FALSE, collapse = TRUE, comment = "#>", fig.path = "man/figures/README-", out.width = "100%", cache = TRUE )
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 get_identifier
. e.g.cs_compinfo
uses ChemSpider to retrieve compound informations and get_csid()
retrieves ChemSpider IDs.
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.
install.packages("webchem")
install.packages("devtools") library("devtools") install_github("ropensci/webchem")
See how webchem
has been used or cited in literature here.
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 webchem
.
Check out our contribution guide here.
webchem
in R with citation("webchem")
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