get_smiles: Get Smiles

In ctxR: Utilities for Interacting with the 'CTX' APIs

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")

ctxR documentation built on April 12, 2025, 2:07 a.m.