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 |