DataWarrior (Osiris, vs 5.5.0. Idorsia Pharmaceuticals Ltd, ) and MolSoft (ICM Molbrowser vs3.9-1bWin64bit, ) were used to visualize and manipulate *.sdf files. The corresponding in silico physicochemical and toxicity parameters predicted by DW (mutagenic, tumorigenic, nasty functions, irritant, reproductive effective and nasty functions) were employed post-generation to clean up the children data.