Applications of
Cheminformatics & Chemical Modelling
to Drug Discovery
Uhrig, U



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About Ulrike Uhrig
Dr. Ulrike Uhrig studied Pharmacy at the Freie Universität Berlin, Germany. Shortly after joining the research group of Professor H.-D. Höltje the whole group moved to Heinrich-Heine Universität Düsseldorf, Germany. During her Ph.D. she focused mainly on Ligand-based Design methods but also got in touch with Structure-based methods. After finishing her Ph.D. she joined Tripos in 1999 as a Support Scientist. Here she entered into the broad range of technologies in an expert molecular modeling environment, including Ligand- and Structure-based Design methods, Cheminformatics, Library Design and more. After two years she became an Application Scientist and started to do training for customers. Today she is managing Tripos Application Scientists in Europe and is in charge of training sessions offered by Tripos in Europe.
Abstract
Rapid 3D-QSAR with the Topomer Technology

Workshop Instructor: Ulrike Uhrig, Tripos

In drug discovery, researchers face pressure to get good ideas for lead compounds faster and faster. This requires scientific methods that are extremely rapid while remaining reliable and consistent. This prerequisite is fulfilled by the Topomer technology, which enables rapid and consistent alignments of molecules and makes comparisons of them very easy.

During the workshop we will use the Topomer technology to search for structural elements that can replace a whole structure or just an R-group or a scaffold.

In a next step we will apply this technique for building a 3D-QSAR model that allows for good activity predictions of new interesting compounds.

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