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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