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

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

Scaffold architecture	No. of Scaffolds			No. of non-duplicated Scaffolds
Scaffold architecture	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

ISSN: 1758-2946