| 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 |