Since only parts of one ligand are changed in the GBGA instead of the whole ligand as in the FBGA, evolution of molecular structures happens in smaller steps through chemical space. This allows the discovery of novel structures. The score of the best-performing individual increases drastically over the first four generations and the calculated energy difference increases from 42. synthetic accessibility constraint was applied, some purchasable ligands such as 2-fluoropyridine were discovered by the GA.[42] On the other hand, for many of the ligands containing highly fluorinated phosphines, no synthetic route can be found with the retrosynthesis software Manifold. We predict the binding site of each ligand as the site with the highest binding energy when coordinating as a monodentate ligand. This might not be a reasonable assumption for one of the ligands of the fourth molecule shown in Figure which might coordinate as an N,N-bidentate ligand. One could perform more automated xTB calculations considering other coordination modes than simple monodentate coordination to verify this in the GA. This way the coordination site and mode could be identified by the highest binding energy across all sites and modes.