get_chemical_details {ctxR}

Retrieve chemical details from DTXSID of DTXCID

Description

Retrieve chemical details from DTXSID of DTXCID

Usage

get_chemical_details(
  DTXSID = NULL,
  DTXCID = NULL,
  Projection = "chemicaldetailstandard",
  API_key = NULL,
  Server = chemical_api_server,
  verbose = FALSE
)

Arguments

DTXSID

The chemical identifier DTXSID

DTXCID

The chemical identifier DTXCID

Projection

The format and chemical detail data returned. Allowed values are 'chemicaldetailall', 'chemicaldetailstandard', 'chemicalidentifier', 'chemicalstructure', 'ntatoolkit', 'ccdchemicaldetails'. If left empty or there is a mismatch, the default format will be 'chemicaldetailstandard'.

API_key

The user-specific API key

Server

The root address for the API endpoint

verbose

A logical indicating if some “progress report” should be given.

Value

A data.table containing chemical information for the chemical with DTXSID matching the input parameter.

Examples

# Pull chemical details for BPA
bpa <- get_chemical_details(DTXSID = 'DTXSID7020182')