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Table 4 The number of the Level 1 scaffolds 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 1319 645 1306 537 715 646
≥0.9 1339 654 1341 542 728 655
≥0.8 1393 679 1405 555 767 697
≥0.7 1525 750 1496 589 872 792
≥0.6 1834 928 1783 697 1016 926
≥0.5 2605 1384 2468 1100 1307 1206
≥0.4 3920 2546 3494 2039 1835 1776
≥0.3 5353 4333 4255 3368 2770 2685
≥0.2 6215 5939 4541 4349 3800 3693
≥0.1 6386 6386 4588 4587 4053 4053
≥0 6386 6386 4588 4588 4053 4053