Computer-Assisted Drug Design

Our research activities concentrate on method development for virtual screening, molecular de novo design, and adaptive autonomous systems in drug discovery. In a trans-disciplinary approach we amalgamate computer-based pattern recognition and machine learning with compound synthesis and biochemical activity determination.

Gisbert Schneider (*1965) studied biochemistry and computer science at the Free University of Berlin, Germany, where he received his doctoral degree in 1994. After several post-doctoral research activities he joined F.Hoffmann-La Roche Pharmaceuticals in Basel, Switzerland, where he headed the cheminformatics group. In 2000, he received his habilitation and venia legendi in biochemistry and bioinformatics from the University of Freiburg, Germany. From 2002-2009 he was Full Professor of Chem- and Bioinformatics (Beilstein Endowed Chair) at Goethe-University Frankfurt, Germany; now Distinguished Adjunct Professor at Goethe-University. In 2010 he joined ETH Zürich as a Full Professor of Computer-Assisted Drug Design.

^{_{(c) 2011 M. Reutlinger}}