To look beyond the whole average interaction energy per framework, we cluster the average relative interaction energies for the most abundant drug classes, in antibiotics (10 PPCPs), anticonvulsants (4 PPCPs), steroid hormones (5 PPCPs), and non-steroidal anti-inflammatory drugs (NSAID) (6 PPCPs) respectively, shown in Figure . Here we can provide recommendations on which zeolites would be good candidates to target specific classes of drugs, as they might occur more frequently from local wastewater streams of productions facilities, livestock farming or hospital wastewaters. The strongest increase in relative IE for the drug class of antibiotics is found in the zeolite frameworks BEA, MTW and MEL. This can be mainly attributed to the good fit between the pores and the sulfonamides as part of the PPCP set. A strong interaction energy between most anticonvulsant drugs and the frameworks MTW, MEL, MFI and TON is observed. It has to be noted, that the most problematic anticonvulsant drug, carbamazepine, cannot be adsorbed in these pores for its larger size, but shows the strongest IE with the IFR framework. Steroid hormones exhibit the strongest increase in IE with the CFI and the MOR frameworks, which is due to the good fit between the flat, rigid structure of the molecules and the straight cylindrical, respectively elliptical shape of the pores. Lastly, for the drug class of NSAIDs, the average interaction energy is maximized for the MTW framework.