To make automated chemical perception truly feasible, we need to limit the search space by adding more chemical sense. However, this does not mean a human needs to encode rules for chemistry into the machinery; instead we should take advantage of the molecules being used to parameterize the force fields. A variety of cheminformatics tools are capable of extracting information about atoms and bonds in a molecule that we could convert into SMIRKS decorators . This allows for a more deterministic approach where SMIRKS patterns are generated based on molecular fragments in the training set.