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!
- Industrialising X-Ray Fragment Hit Progression – Anthony Aimon (Diamond Light Source Ltd)
- Reaction InChI (RInChI): Present and Future – Gerd Blanke (StructurePendium Technologies GmbH)
- Development of an automated gas phase catalytic microreactor platform for kinetic studies – Solomon Gajere Bawa (University College London)
- Active Learning for Cost-Efficient Reaction Prediction using Kinetic Data – Paul Dingwall (Queen’s University Belfast)
- Catalyst Seeking Substrate: Computational Prediction in Homogeneous Organometallic Catalysis – Derek James Durand (University of Bristol)
- RetroBiocat: a tool for computer aided synthesis planning of biocatalytic cascades – William Finnigan (University of Manchester)
- Predicting Cytochrome P450 Sites of Metabolism – Elena Gelžinytė (University of Cambridge)
- What data is really needed for the synthesis routes’ prediction and why data preparation is still a bottleneck? – Elena Herzog (Elsevier)
- 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)
- Atom-To-Atom Mapping: A Benchmarking Study – Arkadii Lin (University of Strasbourg)
- Formation of artificial cells with distributed cores as multi-functional microreactors using 3D-printed microfluidics – Jin Li and David Barrow (Cardiff University)
- Reaxys Predictive Retrosynthesis (PAI): rewiring chemistry and redesigning synthetic routes – Elliott Parris (Elsevier)
- Computational Methods to Identify Novel Medicinal Chemistry Relevant Heterocycles – Fergus Preston (Drug Discovery Unit, University of Dundee)
- A comprehensive modeling methodology for the development of QSPR models for kinetic characteristics of chemical reactions – Assima Rakhimbekova (Kazan Federal University)
- 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] - Artificial Labels for Multi-label Training of Neural Networks Policies for Retro-Synthetic Template Selection and Route Finding – Esben Jannik Bjerrum (AstraZeneca)
- AI/Machine Learning for Chemical Development – David Buttar (AstraZeneca)