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Table 6 Library ranking based on ADME/T, promiscuous binders, diversity, and the consensus of the three

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

Library ADME/Tb Promiscuous bindersb Diversityb Total ranka
Elite libraries 4 2 7 13 (4)
Platinum collection 6 1 8 15 (5)
DIVERSet™-CL 3 5 7 15 (5)
DIVERSet™-EXP 1 4 5 10 (1)
Drug-like set 3 6 3 12 (3)
Pharmacological diversity set 2 3 6 11 (2)
Maybridge screening collection 3 7 3 13 (4)
Prestwick Chemical Library® 7 9 1 17 (6)
MSII full library 5 8 2 15 (5)
  1. aThe “Total Rank” column provides the sum of the “ADME/T”, promiscuity and “Diversity” columns and in parenthesis, the final rank of each library
  2. bThe ADME/T, promiscuous binders and diversity ranking were obtained from Tables 3, 4 and 5, respectively, using the same consensus approach as described in the text. In the case of ADME/T, consensus was taken over the Lipinski, Veber and logBB criteria. In the case of diversity, consensus was taken over the three selected diversity descriptors (ECFP_2, MDL, PHRFC_2)