The input, which is provided as a csv file, contains the polymer name and either a reaction SMILES or a monomer SMILES. If a reaction SMILES is provided, HTA identifies the monomer by evaluating the Chemical Similarity between reactants and products. In short, all molecular entities are separated and their fingerprints are calculated using RDKFingerprint within RDKit . The fingerprints are then compared with Tanimoto Similarity . Finally, HTA selects the reactant SMILES with the highest similarity score as monomer SMILES.