get_chem_info {ccdR}

Retrieve chemical information

Description

Retrieve chemical information

Usage

get_chem_info(
  DTXSID = NULL,
  type = "",
  API_key = NULL,
  Server = chemical_api_server,
  verbose = FALSE
)

Arguments

DTXSID

The chemical identifier DTXSID

type

This specifies whether to only grab predicted or experimental results. If not specified, it will grab all details. The allowable input values are "predicted" or "experimental".

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.frame containing chemical information for the chemical with DTXSID matching the input parameter.

Examples

# Pull chemical information for BPA
bpa <- get_chem_info(DTXSID = 'DTXSID7020182')