post_inchikey: Post an InChIKey as ChemSpider query
In NIVANorge/chemspiderapi: R Wrapper for ChemSpider's API Services

Description Usage Arguments Details Value Author(s) See Also Examples

View source: R/FILTERING-post_inchikey.R

Functionality to post an InChIKey to obtain a queryId for use in chemspiderapi::get_status() and chemspiderapi::get_results().

1	post_inchikey(inchikey, apikey, coerce = FALSE, simplify = FALSE)

`inchikey`	A valid 27-character InChIKey; see Details.
`apikey`	A valid 32-character string with a valid key for ChemSpider's API services.
`coerce`	`logical`: should the list be coerced to a data.frame? Defaults to `FALSE`.
`simplify`	`logical`: should the results be simplified to a vector? Defaults to `FALSE`.

The validity criteria for InChIKeys are outlined here: https://www.inchi-trust.org/technical-faq/#13.1. If certain criteria are not met by the input inchikey, chemspideR::post_inchikey() returns an error message (and does not perform an API query). In the case of a non-standard inchikey, a warning is issued but the query will be performed.

Returns the queryId string as (named) character vector.

Raoul Wolf (https://github.com/RaoulWolf/)

https://developer.rsc.org/compounds-v1/apis/post/filter/inchikey

## Not run: 
## Post the InChIKey of caffeine to obtain a queryId
inchikey <- "RYYVLZVUVIJVGH-UHFFFAOYSA-N"
apikey <- "A valid 32-character Chemspider API key"
post_inchikey(inchikey = inchikey, apikey = apikey)

## End(Not run)