AI React 2020‎ > ‎

Poster List

The following posters will be presented at the Poster Session on Monday 9th March at 18:30  19:30. The poster prizes have been sponsored by IKTOS.

You can find the posters by their number on the day!
  1. Industrialising X-Ray Fragment Hit Progression  Anthony Aimon (Diamond Light Source Ltd)      
  2. Reaction InChI (RInChI): Present and Future  Gerd Blanke (StructurePendium Technologies GmbH) 
  3. Development of an automated gas phase catalytic microreactor platform for kinetic studies  Solomon Gajere Bawa (University College London) 
  4. Active Learning for Cost-Efficient Reaction Prediction using Kinetic Data  Paul Dingwall (Queen's University Belfast) 
  5. Catalyst Seeking Substrate: Computational Prediction in Homogeneous Organometallic Catalysis  Derek James Durand (University of Bristol)       
  6. RetroBiocat: a tool for computer aided synthesis planning of biocatalytic cascades  William Finnigan (University of Manchester) 
  7. Predicting Cytochrome P450 Sites of Metabolism  Elena Gelžinytė (University of Cambridge)
  8. What data is really needed for the synthesis routes’ prediction and why data preparation is still a bottleneck?  Elena Herzog (Elsevier) 
  9. A Platform for Automating Catalytic Chemical Synthesis to Understand a Complex Pd-Catalysed Reaction System Using Data Analysis, Mechanistic Studies and Reaction Optimisation  Christopher Horbaczewskyj (University of York) 
  10. Atom-To-Atom Mapping: A Benchmarking Study  Arkadii Lin (University of Strasbourg) 
  11. Formation of artificial cells with distributed cores as multi-functional microreactors using 3D-printed microfluidics  Jin Li and David Barrow (Cardiff University) 
  12. Reaxys Predictive Retrosynthesis (PAI): rewiring chemistry and redesigning synthetic routes  Elliott Parris (Elsevier) 
  13. Computational Methods to Identify Novel Medicinal Chemistry Relevant Heterocycles  Fergus Preston (Drug Discovery Unit, University of Dundee) 
  14. A comprehensive modeling methodology for the development of QSPR models for kinetic characteristics of chemical reactions  Assima Rakhimbekova (Kazan Federal University)
  15. Catalyst Design via Machine Learning  Stamatia Zavitsanou (Oxford University) 

    [NB: Unfortunately these posters will not be there on the day as the presenters are unable to attend, but they can still be downloaded from here]
  16. Artificial Labels for Multi-label Training of Neural Networks Policies for Retro-Synthetic Template Selection and Route Finding  Esben Jannik Bjerrum (AstraZeneca) 
  17. AI/Machine Learning for Chemical Development  David Buttar (AstraZeneca)