To show a prove-of-concept example, library C was generated applying stringent thresholds of > -100 docking-scores to eliminate lower-affinities to rat wild-type and mutants. The opposite filtering direction was applied to discard the children predicting higher affinities corresponding to docking-scores < -100 to human VKORC1 (Figure ). Applying the thresholds mentioned above, the initial library B was downsized from 747 to 150 children (20 % of library B). Any other threshold values may be applied, for instance if adding any new computational scores (i.e., VKORC1 affinities from off-target species) or any experimental in vitro or in vivo data (i.e., binding to VKORC1 recombinant proteins or rat mortalities after experimental bait supply).