This symposium will cover the impact of artificial intelligence (AI) and machine learning (ML) on chemistry and biology, including drug design. The underlying theme of the discussions will be what we can now do with AI and ML that we could not do before. For instance, is AI simply a new interpolation method in the old traditional computer-aided drug design (CADD)? Are the methods applied nowadays unreliable in contrast to the those applied in the early days? How can we combine the development and application of new materials with AI-generated knowledgebases? How much can AI help in the prediction and retrosynthesis of new chemical compounds, and how useful are these compounds? Still, the quality of published data matters, as meaningful AI applications depend on the availability of high-quality test datasets.

The event aims to allow participants from widely differing areas of specialization to present talks for a general but qualified scientific audience, and researchers from the different disciplines to come into contact, leading to fruitful “out of the box” discussions.

Topics

• Chemical sensing
• Chemical aided drug design
• Protein structure prediction
• AI models from physical models
• Synthesis planning
• Human brain project
• Medical image recognition, and other interdisciplinary topics

Selected Speakers

• Karl-Heinz Baringhaus / Sanofi-Aventis GmbH, Frankfurt
• Tim Clark / Friedrich Alexander University Erlangen-Nürnberg
• Pilar Cossio / Simons Foundation, New York, USA
• Giovanni Cuniberti / Technical University Dresden
• Antonella Di Pizio / Technical University Munich
• Noelia Ferruz / Barcelona Institute of Molecular Biology, Spain
• Marylou Gabrié / École Polytechnique Paris, France
• Birte Höcker / University of Bayreuth
• Oliver Koch / University of Münster
• Ekaterina Komendantska / University of Southampton, UK
• Christian Kramer / Hoffmann-LaRoche, Basel, Switzerland
• Johannes Margraf / University of Bayreuth
• Tudor Oprea / Expert Systems Inc., San Diego, USA
• Beth A. Plale / Indiana University, Bloomington, USA
• Guillermo Restrepo / MPI for Mathematics in the Sciences, Leipzig
• Benjamin Risse / University of Münster
• Christoph Steinbeck / Friedrich-Schiller-University, Jena
• Christian Tyrchan / AstraZeneca, Gothenburg, Sweden
• Andrea Volkamer / University of Saarbrücken
• Gerard van Westen / Universiteit Leiden, The Netherlands