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Table 2 Library quality analysis

From: A reliable computational workflow for the selection of optimal screening libraries

Library

In-organic (%)

Duplicates (%)

Mixtures (%)

Bad valance (%)

Total removed (%)a

Elite libraries

0.0

0.0

0.0

0.0

0.0

Platinum collection

0.0

0.0

0.0

0.0

0.0

DIVERSetâ„¢-CL

0.0

0.0

0.0

0.0

0.0

DIVERSetâ„¢-EXP

0.0

0.0

0.2

0.0

0.2

Drug-like set

0.0

0.0

1.1

0.0

1.1

Pharmacological diversity set

0.0

0.0

0.9

0.0

0.9

Maybridge screening collection

0.0

0.1

0.1

0.0

0.0

Prestwick Chemical Library®

0.6

0.1

2.4

0.0

3.1

MSII full library

0.0

0.0

0.2

0.0

0.2

  1. aThe percent of molecules removed as a result of data curation