For the step 7, majority of the filtered reactions for the paracetamol case study (>50,000 reactions) contained unmapped reactant atoms due to an LHS atom surplus that could not be resolved by the help species library. An example is shown in Figure (c) where a bromine and ketone oxygen are unmapped. Although it is possible to generate templates and extend the reaction center to include these unmapped atoms, byproducts on the RHS will be missing, thereby limiting predictive capabilities. Therefore, this work chose to exclude them. In addition to mapping errors, other sources of error include mandatory reactants being unmapped. These reactions were all filtered out.