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Compound classification
- 465 compounds from 9 activity classes (Martin Stahl, Harald Mauser, Mark Tsui, Neil R. Taylor, J. Med. Chem. 2005, 48: 4358-4366
- Ligands and decoys for 40 targets from Huang, Shoichet and Irwin, J. Med. Chem., 2006, 49(23), 6789-6801, standardized for 2D similarity searching purposes
In silico screening
- 15360 combinatorial compounds tested against thrombin, factor 7a and tryptase at Roche (Illgen, K.; Enderle, T.; Clemens Broger, C.; Weber, L. “Simulated Molecular Evolution in a Full Combinatorial Library” Chemistry & Biology 2000, 7, 433-441.)
- 16896 combinatorial compounds tested against chymotrypsin, factor Xa, trypsin, tryptase and UPA at Morphochem
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