Description Usage Arguments Details Value Author(s) See Also Examples
View source: R/TOOLS-post_validate_inchikey.R
Functionality to check the validity of an InChIKey.
1 | post_validate_inchikey(inchikey, apikey)
|
inchikey |
A 25- or 27-character InChIKey to be validated. |
apikey |
A 32-character string with a valid key for ChemSpider's API services. |
Before this functions performs an API query, it runs quality checking as lined out at https://www.inchi-trust.org/technical-faq/#13.1. If an InChIKey is ruled out based on these criteria, it returns FALSE
with a warning message.
A logical indicating the validity of the InChIKey
Raoul Wolf (https://github.com/RaoulWolf/)
https://developer.rsc.org/compounds-v1/apis/post/tools/validate/inchikey
1 2 3 4 5 6 7 | ## Not run:
## validate the InChIKey of caffeine
inchikey <- "RYYVLZVUVIJVGH-UHFFFAOYSA-N"
apikey <- "a_valid_ChemSpider_API_key"
post_validate_inchikey(inchikey = inchikey, apikey = apikey)
## End(Not run)
|
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