Docking Score (weight of 4), Molecular weight <=400 g/mol (2), clogP <= 3 (1) ± Toxicity Risk <= 1 (4) were chosen for DW-BEL co-evolution of 9 target / parent pairs, selected by their practical importance (Table ). In particular, one *.pdb file per each complex pair coding their crystallographic 3D binding cavities (protein and ligand), and one 2D *.sdf file coding for the ligand were uploaded to DW-BEL. Three consecutive runs of automatically decided number of cycles were performed for each target / parent pair ± Toxicity Risk, to best deal with the stochastic generation of raw children. According to what was briefly mentioned above, in this study the number of Compounds surviving a cycle were chosen as 16, higher than the 8 default number, to generate maximal numbers of children. Before applying the final NTN macro filtering, one Vkorc1 representative target / raw children sample analysis showed that all children containing Toxic groups and Nastic functions were reduced with Toxicity Risk (Table ). Therefore the remaining Toxic groups and/or Nasty function children for all 9 target / parent pairs were totally eliminated by NTN filtering. Results predicted by DW-BEL ± Toxicity Risk could be summarized as follows (Table and v) Study of 100 NTN children top-leads. Most of the 100 NTN children top-leads docking-scores were of similar mean values as shown by their low standard deviations (Figure ). All NTN children top-leads ± Toxicity Risk predicted mean DW affinities higher (lower docking-scores) than those of their parents (Figure , yellow hatched bars and white hatched bars compared to open bars, respectively). There were top-lead NTN children that predicted higher mean DW affinities with than without Toxicity Risk, such as Vkorc1, Sglt1, Vegfr, Nkcc1 and LolEC. In contrast, there were also top-lead NTN children that predicted higher mean DW affinities only without Toxicity Risk such as FtsZ, Hsp47, Sglt2, and P2x3r (Figure , yellow hatched bars compared to white hatched bars). These results show that affinity improvements are not necessarily associated with Toxicity Risk but it depends on the target / parent pair under these criteria.