Table 9 Ranking based on ADME/T, promiscuous binders, diversity and similarity to Kalydeco
From: A reliable computational workflow for the selection of optimal screening libraries
Library | ADME/T ranking | Promiscuous binders | Diversity ranking | Similarity ranking | Total ranka |
|---|---|---|---|---|---|
Elite libraries | 4 | 2 | 7 | 6 | 19 (5) |
Platinum collection | 6 | 1 | 8 | 2 | 17 (4) |
DIVERSet™-CL | 3 | 5 | 7 | 4 | 19 (5) |
DIVERSet™-EXP | 1 | 4 | 5 | 1 | 11 (1) |
Drug-like set | 3 | 6 | 3 | 3 | 15 (2) |
Pharmacological diversity set | 2 | 3 | 6 | 5 | 16 (3) |
Maybridge screening collection | 3 | 7 | 3 | 3 | 16 (3) |
Prestwick Chemical Library® | 7 | 9 | 1 | 7 | 24 (7) |
MSII full library | 5 | 8 | 2 | 6 | 21 (6) |