Description Usage Arguments Details Value See Also Examples
View source: R/FILTERING-post_smiles.R
Functionality to post a SMILES string to obtain a queryId
for use in chemspiderapi::get_queryID_status()
and chemspiderapi::get_queryId_results()
.
1 | post_smiles(smiles, apikey, coerce = FALSE, simplify = FALSE)
|
smiles |
A SMILES character string. |
apikey |
A 32-character string with a valid key for ChemSpider's API services. |
coerce |
|
simplify |
|
If successful, returns the queryId
as character string.
Returns the queryId string as (named) character vector.
https://developer.rsc.org/compounds-v1/apis/post/filter/smiles
1 2 3 4 5 6 7 | ## Not run:
## post the SMILES string of caffeine to get a queryId
smiles <- "Cn1cnc2c1c(=O)n(c(=O)n2C)C"
apikey <- "a valid 32-character ChemSpider apikey"
post_smiles(smiles = smiles, apikey = apikey)
## End(Not run)
|
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