This final generator was used for generating a batch of 1,000 new molecules. For comparison, another collection of 1,000 molecules was generated using the default state of the generator, which we denote here as "unbiased." Figure shows the distributions of optimized properties for 1,000 molecules generated before and after the biasing procedure. As a measure of novelty in the generated molecules, we compared them to molecules present in the ChEMBL31 set. Besides Celecoxib itself, only two other molecules were generated that were already present in the ChEMBL-IC50 set (Figure ). As shown in Table and Figure , the molecules generated after biasing the generator, all optimized properties' statistics were improved compared to the unbiased generator, and even to the molecules previously tested against COX-2 present in the ChEMBL31 database.