R/zinc-substance.R
resolve_substances.Rd
Search for substances using smiles and fine grained tolerance criteria
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, ... )