According to preliminary observations, to obtain children with lower docking-scores, fragments of PC190723 rather than the whole molecule generated better values when used as parents. Therefore, PC190723 was computationally splitted into top diheteroring and bottom difluorobenzamide fragments, to evolve in each case their complementary moieties (Figure ). Once generated, the non-toxic children were extracted from the data and selected to further analysis (non-toxic children varied from 32.9 to 55.7 %, Table ). Most of the children reduced their docking-scores compared to their PC190723 parent. Evolving all PC190723 atoms during evolution generated only slightly lower binding-score profiles, despite a high number of evolved children (Figure , DW25 red). In contrast, evolving PC190723 fragments showed that children minimal docking-score profiles were similarly predicted when varying their diheterorings (Figure , DW22) or varying their difluorobenzamide (Figure ). Evolving the diheterorings of the lowest DW23 lead parent, predicted ~10-fold lower docking-score profiles, but their molecular sizes and hydrophobicities were higher (unspecific docking), therefore those children were discarded for further analysis (not shown).