Skip to main content

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