get_recordId_details: Get details for a ChemSpider record
In NIVANorge/chemspiderapi: R Wrapper for ChemSpider's API Services

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.

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, `"all"` returns all possible `fields`. `fields` is NOT case sensitive, but see details for a list of possible entries.
`apikey`	A 32-character string with a valid key for ChemSpider's API services.
`id`	`logical`: Should the `id` column (i.e., the `recordId`) be part of the output? Defaults to `TRUE`.
`simplify_formula`	`logical`: Should formula strings be simplified? Defaults to `FALSE`.
`coerce`	`logical`: should the list be coerced to a data.frame? Defaults to `FALSE`.

"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

## 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)