A central goal of this study is to test the ability of the SMARTY and SMIRKY sampling methods to discover type definitions closely matching those in existing force fields. As detailed above, if successful, we would recover SMARTS and SMIRKS patterns matching all atom or fragment types, by achieving total scores of 100% or partial scores of 100% for all reference types (Section 2.4). However, we would consider high total scores along with a 100% partial score for most reference types to also indicate success, showing promise for expanding these algorithms for sampling chemical perception trees beyond the proof of principle in this paper. Both methods were tested on three molecule sets of increasing complexity -AlkEthOH, PhEthOH, and MiniDrugBank (section 2.4).