57 polymer names with polymer SMILES that belong to the polyamide, polyester, polyether, polyurethane class, respectively, were found at Polymerdatabase.com . 149 polymer names and (some of the) polymer SMILES that belong to the vinyl class were taken from reference . To complete the data entries, we have created the missing polymer SMILES either from scratch or, alternatively, by conferring OPSIN . For validation of the HTA algorithm, we have modified the data set by transforming polymer products into precursors, or monomers, on a case-by-case basis. The algorithm could then be tested for detecting the reaction centers of polymerization.