The best-performing molecules from separate GA runs are selected for further calculations of the electronic activation energy at the GFN2-xTB and B3LYP-D3/6-31+G(d,p)(SMD) level of theory. First, the activation energy from the reactants to the true transition state (TS3) is calculated. The transition state optimiser in Gaussian16 is used with GFN2-xTB(methanol/GBSA) for the energy/gradient calculations. The retrosynthesis tool Manifold is used to obtain the minimum number of synthetic steps to yield the desired product from commercially available building blocks. The maximum lead time is set to 2 weeks and the catalogues 'generic', 'molport', 'emolecules' and 'mcule' are selected to search for building blocks.