Descriptors — chemi_descriptors

Usage

chemi_descriptors_bulk(
  query,
  type,
  chemIdType = "AnyId",
  headers = FALSE,
  format = "JSON",
  timeout = NULL,
  output = c("wide", "raw")
)

Arguments

query: Chemical identifiers or structures
type: Descriptor engine: padel, rdkit, mordred, or webtest
chemIdType: Input identifier type. Options: DTXSID, DTXCID, SMILES, MOL, CAS, Name, InChI, InChIKey, InChIKey_1, AnyId (default: AnyId)
headers: Request descriptor headers
format: Response format: JSON, CSV, or TSV. Options: JSON, CSV, TSV (default: JSON)
timeout: Optional upstream calculation timeout
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_descriptors_bulk(query = "DTXSID1024122")
} # }