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Table 4 PC50C values of the Murcko frameworks (Murcko) and Level 1 scaffolds for the 12 standardized datasets

From: Comparative analyses of structural features and scaffold diversity for purchasable compound libraries

Databases

PC50C

Murcko

Scaffold Tree

ChemBridge

21.38

1.92

ChemDiv

16.03

2.82

ChemicalBlock

9.42

1.68

Enamine

26.41

1.68

LifeChemicals

12.96

1.99

Maybridge

8.52

2.09

Mcule

27.36

2.49

Specs

6.15

1.28

TCMCD

5.92

1.11

UORSY

11.10

1.30

VitasM

11.85

1.86

ZelinskyInstitute

7.85

1.47

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Journal of Cheminformatics

ISSN: 1758-2946

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