Generate descriptors for multiple molecules — chemi_rdkit_bulk • ComptoxR

Usage

chemi_rdkit_bulk(
  chemicals,
  options = NULL,
  type = NULL,
  radius = NULL,
  bits = NULL,
  output = c("wide", "raw")
)

Arguments

chemicals: Chemical structures or resolvable identifiers
options: Named list of additional dedicated RDKit options
type: Fingerprint type
radius: ECFP radius
bits: Number of fingerprint bits
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_rdkit_bulk(chemicals = "DTXSID1024122")
} # }