resolve_substances: Search for substances using smiles and fine grained tolerance...

In momeara/Zr: R client for http://zinc15.docking.org/

Description

Search for substances using smiles and fine grained tolerance criteria

Usage

resolve_substances(
  identifiers,
  output_fields = c("zinc_id", "smiles", "preferred_name", "purchasability",
    "features"),
  allow_lookup_zincids = TRUE,
  allow_lookup_structures = TRUE,
  allow_lookup_names = TRUE,
  allow_lookup_suppliers = TRUE,
  allow_lookup_analogs = TRUE,
  match_tolerance_retired = FALSE,
  match_tolerance_charges = FALSE,
  match_tolerance_scaffolds = FALSE,
  match_tolerance_fulltext = FALSE,
  match_tolerance_multiple = FALSE,
  subsets_to_check = "all",
  raw = FALSE,
  ...
)

momeara/Zr documentation built on Jan. 11, 2022, 8:11 a.m.