With a GBGA, it is straightforward to discover novel catalysts utilizing other transition metals than Pd. Here, we show the generation of novel ligands for Cu-and Ag-based catalysts with a favourable thermodynamic profile for the Suzuki reaction. This appears to be a challenging task since Meyer et al. were only able to find 20 and 0 catalysts in the desired energy range via screening of 18062 catalyst candidates, respectively. Furthermore, when calculating the actual energy difference at the B3LYP-D3BJ/def2-TZVP//B3LYP-D3BJ/3-21 level of theory, we could only confirm 6 out of 20 Cu-based catalysts with E values within -32.1 and 23.0 kcal mol 1 . The evolution of the score, calculated energy difference and the modified SA score of the best Cu-based catalysts over 40 generations are shown in Figure . The calculated Es of the best catalysts in the early generations are considerably higher (>15 kcal mol 1 ) than the desired target range which yields low overall scores in the first six generations. After seven generations, a catalyst with a calculated E in the target range is identified. In the following 33 generations more catalysts within the target range and varying modified SA scores are discovered by tradeoff between the two objec- tives. Overall, 112 unique catalysts within the target range were discovered by evaluating 1000 catalysts with DFT, a subset is shown in Figure . For the generation of Ag-based catalysts, no synthetic accessibility constraint was applied since preliminary experiments proved the generation of catalysts with both high SA scores and E values in the target range too challenging. We therefore show how the GBGA is used to generate structural motifs that yield catalysts within the desired E range. Analysis of the generated structures yields insight into electronic and steric effets that would be necessary for Ag-based catalysts.