Generate descriptors for multiple molecules — chemi_mordred_bulk • ComptoxR

Usage

chemi_mordred_bulk(
  chemicals,
  options = NULL,
  headers = NULL,
  inchi = NULL,
  output = c("wide", "raw")
)

Arguments

chemicals: Chemical structures or resolvable identifiers
options: Named list of additional dedicated Mordred options
headers: Request descriptor headers
inchi: Include InChI identifiers
output: Output contract: validated wide tibble or raw payload

Value

Returns a tibble with results

API stage

This wrapper was generated from the public API schema.

Examples

if (FALSE) { # \dontrun{
chemi_mordred_bulk(chemicals = "DTXSID1024122")
} # }