Target set-dependent activity cliffs

Two databases comprising a total of 13,886<em> (i)sdMMP-cliffs</em> (93 target sets) and 8140 <em>(i)sdRMMP- cliffs</em> (73 target sets) are provided. For each of 93 and 73 target sets with sdMMP- and sdRMMP-cliffs, respectively, ChEMBL ID, target name, and corresponding PubChem assay IDs (AIDs) are reported and all ACs are provided including isdMMP-cliffs (21 of 93 sets) and isdRMMP-cliffs (eight of 73 sets). For each active AC compound, the ChEMBL ID, NonStereoAromaticSMILES (in-house version) representation, and potency value are given and for each inactive AC compound, the PubChem ID (CID) and SMILES representation.