Description Usage Arguments Details Value Author(s) See Also Examples
View source: R/FILTERING-post_inchi.R
Functionality to POST an InChI string to obtain a queryId
for use in chemspiderapi::get_queryID_status()
and chemspiderapi::get_queryId_results()
.
1 | post_inchi(inchi, apikey, coerce = FALSE, simplify = FALSE)
|
inchi |
A valid InChI string; see Details. |
apikey |
A 32-character string with a valid key for ChemSpider's API services. |
coerce |
|
simplify |
|
The validity criteria for InChI strings are outlined here: https://www.inchi-trust.org/technical-faq/#2.8. If certain criteria are not met by the input inchi
, chemspiderapi::post_inchi()
returns an error message and does not perform an API query.
Returns the queryId string as (named) character vector.
Raoul Wolf (https://github.com/RaoulWolf/)
https://developer.rsc.org/compounds-v1/apis/post/filter/inchi
1 2 3 4 5 6 | ## Not run:
## Post the InChI string of caffeine to get a queryId
inchi <- "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3"
apikey <- "a valid 32-character ChemSpider apikey"
post_inchi(inchi = inchi, apikey = apikey)
## End(Not run)
|
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.