We initially generated InChI strings from the original and predicted molecules and compared them one to one in order to determine the accuracy of the model. For models trained using images with R-Group labels, obtaining InChI strings to calculate identical string matches is not possible. In order to overcome this problem, all of the original and predicted SMILES were parsed using the CDK SMILES parser, and an Isomeric CX SMILES was generated by combining CDK's Absolute and CXSMILES flavours. The SMILES string generated using this method then consists of a canonicalised SMILES with a '*' symbol where the R-Group should be present. At the end of each SMILES string, the R-Group labels that need to be inserted for the asterisks are listed. Using this particular SMILES variant, a one-to-one string comparison was performed, to determine the proportion of identical predictions.