Description Usage Arguments Details Value Author(s) See Also Examples
View source: R/RECORDS-get_recordId_details.R
This function returns record details from ChemSpider.
1 2 3 4 5 6 7 8 | get_recordId_details(
recordId,
fields = "all",
apikey,
id = TRUE,
simplify_formula = FALSE,
coerce = FALSE
)
|
recordId |
A valid (integer) ChemSpider ID. |
fields |
Either a single character string, a character vector, or a character list stating which fields to return. Alternatively, |
apikey |
A 32-character string with a valid key for ChemSpider's API services. |
id |
|
simplify_formula |
|
coerce |
|
"Call this endpoint with a Record ID as an integer.
The available fields are: SMILES, Formula, InChI, InChIKey, StdInChI, StdInChIKey, AverageMass, MolecularWeight, MonoisotopicMass, NominalMass, CommonName, ReferenceCount, DataSourceCount, PubMedCount, RSCCount, Mol2D, Mol3D."
A data.frame
if multiple columns are returned, or a vector of the appropriate type if only one field
is returned.
Raoul Wolf (https://github.com/RaoulWolf/)
https://developer.rsc.org/compounds-v1/apis/get/records/{recordId}/details
1 2 3 4 5 6 7 8 9 | ## Not run:
## Get the record details for caffeine
recordId <- 2424L
apikey <- "A valid 32-character Chemspider API key"
get_recordId_details(recordId = recordId,
fields = c("SMILES", "Formula", "MolecularWeight", "CommonName"),
apikey = apikey)
## End(Not run)
|
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