Journal of Cheminformatics

Table 3 The number of the Murcko frameworks in one dataset that are similar to those in another dataset based on different similarity cutoff of ECFP_6 fingerprint

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

Similarity	MDDR in ACD	MDDR in TCMCD	ACD in MDDR	ACD in TCMCD	TCMCD in MDDR	TCMCD in ACD
=1	1191	570	1210	663	788	1141
≥0.9	1227	590	1258	674	812	1170
≥0.8	1316	644	1363	710	875	1244
≥0.7	1638	769	1620	791	989	1382
≥0.6	2601	1154	2448	1057	1277	1803
≥0.5	5310	2348	4568	1917	2157	2880
≥0.4	10982	5434	8187	4150	4047	4767
≥0.3	17914	12253	11753	8335	6968	7179
≥0.2	20923	19731	12953	12523	9713	9679
≥0.1	21172	21172	13029	13027	10786	10784
≥0	21172	21172	13029	13029	10786	10786

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ISSN: 1758-2946

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