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08.00 Door opening, welcome coffee
08.45 Erik Fyrwald, CEO Syngenta Crop Protection AG
Welcome and opening remark
Setting the Scene
09.00 Robert Glen, University of Cambridge, UK
«Deep Learning in Chemistry: Evolution or Revolution?»
09.35 Q&A
Session 1
09.45 Alán Aspuru-Guzik, University of Toronto, Canada
«Artificial Intelligence and Robotics for Molecular Materials Discovery»
10.20 Coffee break
10.50 Mark P. Waller, Shanghai University, China & Sydney, Australia
«Learning the Art of Chemical Synthesis with Deep Neural Networks and Discipline Scale Data»
11.25 Edward O. Pyzer-Knapp, IBM Research, UK
«Chemical Hide and Seek - Using AI to efficiently find high quality leads»
12.00 Q&A
12.30 Lunch
Session 2
14.00 Bob Sheridan, Merck, USA
«What I Learned About Machine Learning --Revisited (Again)»
14.35 Matthias Rarey, Universität Hamburg, DE
«Machine Learning in the Context of Bioactivity»
15.10 Q&A
15.40 Coffee break
Session 3
16.10 Adrian E. Roitberg, University of Florida, USA
«ANAKIN-ME: Using deep learning to develop a fully-transferable and chemically accurate GPU-accelerated potential»
16.45 O. Anatole von Lilienfeld, University of Basel, Switzerland
«Quantum Machine Learning: Some lessons learned»
17.20 Q&A
17.50 Closing remarks
18.00 Aperitif