Ligand based virtual screening using BCUT descriptors

CINF 29

Uta Lessel, Uta.Lessel@bc.boehringer-ingelheim.com, Department of Lead Discovery, Boehringer Ingelheim Pharma GmbH & Co. KG, Biberach an der Riss, 88397, Germany
The presentation shows some ways how to apply DiverseSolutions and the BCUT descriptors for ligand based virtual screening. The results are compared with enrichments produced by other ligand based virtual screening techniques, e.g. Daylight Fingerprints or Feature Trees.