- Date 26 Mar 2018
- Time 10:00 - 17:30
- Address The Bradfield Centre Milton Road CB4 0GF
This one-day meeting, bringing together chemists, engineers, computer scientists, mathematicians and data scientists from both academic and commercial backgrounds, will be a symposium and discussion forum looking at prediction of chemical reaction outcomes through data analysis and acquisition. In particular we aim to identify the barriers currently preventing us from being able to predict reaction outcomes and to propose next steps.
Topics will include the invention of new reactions, data acquisition and understanding mechanisms.
“The KOtBu-Catalyzed C–H Silylation of Heteroarenes: Theoretical Insights into a Complex Reaction Mechanism”, Elizabeth Krenske, University of Queensland, Australia
“Harnessing Non-Covalent Interactions for Control of Selectivity in Catalysis”, Robert Phipps, University of Cambridge
"Title to be confirmed", Dr Arthur Smith, University of Cambridge
"Predicting chemical reactions with machine learning and large data sets", Ola Engkvist, AZ
"Reaction Databases in Automated Synthesis Planning and Reaction Product Prediction: Scope and Limitations" Peter Johnson, University of Leeds
"Chiral Phosphoric Acid Catalysis: Reaction Prediction and Tool Development", Kris Ermanis, University of Cambridge
“Chemical Discovery & AI: The EPSRC Network Artificial & Augmented Intelligence for Automated Investigation and Discovery (AI3D)”, Jeremy G Frey, University of Southampton
This event is being sponsored by RSC CICAG and Mestrelab Research, S.L.