Table 8 Library ranking based on similarity to Kalydeco
From: A reliable computational workflow for the selection of optimal screening libraries
Library | Substructure-based | Pharmacophore-based | Fingerprint-based | Total ranka |
|---|---|---|---|---|
Elite libraries | 7 | 6 | 4 | 17 (6) |
Platinum collection | 2 | 7 | 1 | 10 (2) |
DIVERSet™-CL | 7 | 1 | 5 | 13 (4) |
DIVERSet™-EXP | 1 | 2 | 2 | 5 (1) |
Drug-like set | 3 | 3 | 6 | 12 (3) |
Pharmacological diversity set | 4 | 4 | 7 | 15 (5) |
Maybridge screening collection | 5 | 5 | 2 | 12 (3) |
Prestwick Chemical Library® | 7 | 8 | 8 | 23 (7) |
MSII full library | 6 | 8 | 3 | 17 (6) |