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Table 2 The number of fragments with Murcko frameworks, ring assemblies, rings, bridge assemblies and side chains present in MDDR, ACD and TCMCD

From: Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicines

Scaffold architecture No. of Scaffolds No. of non-duplicated Scaffolds
MDDR ACD TCMCD MDDR ACD TCMCD
Murcko frameworks 33568 33341 32926 21172 13029 10786
Ring assemblies 85904 82352 54742 3394 1568 5957
Rings 101978 115972 121665 484 764 614
Bridge assemblies 387 1538 5381 114 245 971
Side Chains 460178 431939 445889 8735 6332 4897