Stahl data set (Stahl M and Rarey M. 2001. J. Med. Chem. 44, 1035-1042)
Six sets of active compounds - all in SMILES format.

Note: Roche in-house compounds used in the paper are missing here!

• 128 COX2 Inhibitors
• 55 Estrogen Receptor Ligands
• 43 Gelastinase A and General MMP Ligands
• 17 Neuraminidase Inhibitors
• 25 p38 MAP Kinase Inhibitors
• 67 Thrombin Inhibitors