Fig. 5. (Top) Example of molecules along a chemical path between tadalafil and sildenafil, with their corresponding log P and QED scores. (Bottom) Example of a chemical path between dihydroergotamine (binder for 5-HT1B) and prinomastat (binder for CYP2D6). Docking scores for the intermediate structures on both proteins and their joint similarity to the reference structures are provided in the diagram to the right.
