ChemicalOperator {rPDBapi} | R Documentation |
Creates an object representing a chemical search operator using SMILES or InChI descriptors.
ChemicalOperator(descriptor, matching_criterion = "graph-strict")
descriptor |
A valid SMILES or InChI string. |
matching_criterion |
The criterion for matching, one of the values from DescriptorMatchingCriterion. Defaults to "graph-strict". |
A list representing a chemical operator.