Thu, 18 Aug 2016, 15:00 CEST (Berlin)

Dr. Uta Lessel, Principal Scientist, Boehringer Ingelheim Pharma GmbH & Co. KG

Fragment space searches in pharmaceutical research

Chemical fragment spaces consist of molecular fragments and corresponding connection rules. The introduction of this talk deals with the question why searches in chemical fragment spaces are valuable for pharmaceutical research. Then the generation of FTrees Fragment Spaces with CoLibri and the integration of fragment space searches in the drug discovery process at Boehringer Ingelheim are presented. Finally, an application example is shown.

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