Fig. 4. Potency differences in isomer sets and isomer cliffs. (a) The distribution of maximum pairwise potency differences (ΔpKi) in isomer sets is reported. In only 4% of all isomers sets (yellow bars), the 100-fold potency difference threshold for AC formation was met. (b) Shown are exemplary isomer cliffs (with ΔpKi values given in red) for two isomer sets formed by serotonin 6 (5-HT6) receptor ligands.
