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Table 5 Scaffold, framework and compound originality of the AMRI and Chembridge kinase libraries

From: Mining collections of compounds with Screening Assistant 2

 

AMRI

Chembridge

 

Count

Percent

Count

Percent

Frameworks

873

27.0%

2 204

19.2%

Frameworks unicity

747

85.6%

2 078

94.3%

Scaffolds

1 053

32.6%

4 036

35.1%

Scaffolds unicity

1 008

95.7%

3 991

98.9%

Overlap (compounds)

1 molecule

  1. The proportion of scaffolds (resp. frameworks) is expressed as the number of unique scaffolds (resp. frameworks) divided by the number of molecules in the library. The scaffolds (resp. frameworks) unicity is expressed as the number of scaffolds (resp. frameworks) unique to the library divided by the total number of scaffolds (resp. frameworks) in the library.
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Journal of Cheminformatics

ISSN: 1758-2946

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