Resolver Getsimilaritylist — chemi_resolver_getsimilaritylist • ComptoxR

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

Usage

chemi_resolver_getsimilaritylist(
  query,
  idType = "AnyId",
  fingerprintName = NULL,
  get_chemicals = NULL,
  main = NULL,
  padelCompute2D = NULL,
  padelCompute3D = NULL,
  padelComputeFingerprints = NULL,
  rdkitBits = NULL,
  rdkitRadius = NULL,
  rdkitType = NULL,
  scoreName = NULL,
  toxprintsProfile = NULL,
  tverskyI = 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)
fingerprintName: Optional parameter
get_chemicals: Optional parameter
main: Optional parameter
padelCompute2D: Optional parameter
padelCompute3D: Optional parameter
padelComputeFingerprints: Optional parameter
rdkitBits: Optional parameter
rdkitRadius: Optional parameter
rdkitType: Optional parameter
scoreName: Optional parameter
toxprintsProfile: Optional parameter
tverskyI: Optional parameter

Value

Returns a tibble with results (array of objects)

API stage

This wrapper was generated from the public API schema.

Examples

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