R/map_chemdes.R

In jack-davison/chemdesr: Obtain Data from the ChemDes Platform

#' Map ChemDes
#'
#' @description This function is a wrapper around \code{read_full_chemdes}, allowing for a vector of SMILES strings to be mapped over. This function should take roughly 30 seconds per compound.
#'
#' @param smiles A vector of simplified molecular-input line-entry system ("SMILES") strings.
#' @param chatty TRUE/FALSE. If TRUE, will print messages to the console updating you of the stage of scraping.
#'
#' @author Jack Davison, \email{jd1184@york.ac.uk}
#' @return A "wide" tibble of chemical information, labelled with the SMILES string.
#' @export

map_chemdes <- function(smiles, chatty = T) {
  df <- purrr::map_dfr(
    .x = smiles,
    .f = chemdesr::read_full_chemdes,
    chatty = chatty
  )

  return(df)
}