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Table 10 Similarity to ‘In-House’ library and final rankings

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

Library Similar molecules (%) Library comparison ranking Total ranka
Elite libraries 0.1 2 7 (4)
Platinum collection 0.0 1 5 (3)
DIVERSet™-EXP 0.1 2 3 (1)
Drug-like set 0.1 2 4 (2)
Pharmacological diversity set 0.0 1 4 (2)
Maybridge screening collection 0.1 2 5 (3)
Prestwick Chemical Library® 0.0 1 8 (5)
MSII full library 0.1 2 8 (5)
  1. aThe “Total rank” column provides the sum of all rankings, namely, ADME/T profiling, promiscuous binders, internal diversity, similarity to an active compound (Kalydeco) and similarity to an in-house reference library (DIVERSet™-CL)