Resolver Getsimilaritymap

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

Usage

chemi_resolver_getsimilaritymap(
  query,
  idType = "AnyId",
  section = NULL,
  sort = FALSE,
  hclust_method = "complete",
  format = c("cluster", "long", "raw")
)

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)

section

Optional parameter

sort

Logical value controlling API result ordering (default: FALSE)

hclust_method

Hierarchical clustering method passed to stats::hclust()

format

Output format: cluster result, long-form similarities, or raw API response

Value

A cluster list containing a named similarity matrix and hclust object, long-form similarity tibble, or raw API response, selected by format

API stage

This wrapper was generated from the public API schema.

Examples

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