get_smiles {ctxR}

Get Smiles

Description

Get Smiles

Usage

get_smiles(
  name = NULL,
  API_key = NULL,
  Server = chemical_api_server,
  verbose = FALSE
)

Arguments

name

Chemical name

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 string giving a SMILES string for the input chemical.

Examples

bpa_smiles <- get_smiles(name = "Bisphenol A")