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
| 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 |