We run the optimization model for 100 steps and restart the optimization 200 times. Figure -h depicts the compounds with the best scores found in the in silico optimization. In the course of the optimization the most active BACE1 inhibitor (compound c) from Stamford et al. was passed by in 2 out of the 200 runs but was not part of the final set of proposed molecules. This can be explained as the members of the final set of molecules all have higher predicted activities than compound c. As a proof of principle, we also performed an experiment where the Euclidean distance of a particle to compound c's embedding was used as objective function.