Toxprints Calculate — chemi_toxprints_calculate

This function first resolves chemical identifiers using chemi_resolver_lookup_bulk, then sends the resolved Chemical objects to the API endpoint.

Usage

chemi_toxprints_calculate_bulk(
  query,
  idType = "AnyId",
  labels = NULL,
  options = NULL,
  request.filesInfo = NULL,
  request.labels = NULL,
  request.options.OR = NULL,
  request.options.PV1 = NULL,
  request.options.TP = NULL,
  request.options.or = NULL,
  request.options.profile = NULL,
  request.options.pv1 = NULL,
  request.options.tp = NULL,
  request.resolve = NULL
)

Arguments

query: Character vector of chemical identifiers (DTXSIDs, CAS, SMILES, InChI, etc.)
idType: Type of identifier. Options: DTXSID, DTXCID, SMILES, MOL, CAS, Name, InChI, InChIKey, InChIKey_1, AnyId (default)
labels: Optional parameter
options: Optional parameter
request.filesInfo: Optional parameter
request.labels: Optional parameter
request.options.OR: Optional parameter
request.options.PV1: Optional parameter
request.options.TP: Optional parameter
request.options.or: Optional parameter
request.options.profile: Optional parameter
request.options.pv1: Optional parameter
request.options.tp: Optional parameter
request.resolve: Optional parameter

Value

Returns a list with result object

API stage

This wrapper was generated from the public API schema.

Examples

if (FALSE) { # \dontrun{
chemi_toxprints_calculate_bulk(query = c("50-00-0", "DTXSID7020182"))
} # }