You were probably anticipating this, based on the news in the last week, but we can now confirm that the Spring 2020 UKQSAR meeting at Alderley Park has been postponed until the Autumn. More details on that will follow when we have a confirmed date. We are currently looking at online options to discuss science under the UKQSAR umbrella in the Spring and will be in touch in due course regarding this. We’re sorry for the inconvenience this will cause, but we hope to see you in the Autumn.
The Spring UK QSAR & Chemoinformatics Society Meeting will be held at Alderley Park Conference Centre, Cheshire
About this Event
The meeting is organised by Andrew Pannifer and colleagues at Medicines Discovery Catapult, Alderley Park, Cheshire.
If you wish to present a poster, you can submit an abstract during registration.
Agenda
09:00 – 09:50 Registration with coffee
Chair, Anna Pallo
09:50 – 10:00 Introduction
10:00 – 10:30 Exploiting Reduced Graphs for Molecular Exploration and Exploitation – Jess Stacey, University of Sheffield
10:30 – 11:00 AI and automation for drug design – Ola Engkvist, AstraZeneca
11:00 – 11:20 Break with coffee
11:20 – 11:50 Accelerating lead optimisation with Active Learning – joining MMPA ADMET knowledge with Regression Forest machine learning models – Al Dossetter, Medchemica
11:50 – 12:20 Leveraging machine learning approaches for target-focused De Novo drug design – Charlie Bury, Medicines Discovery Catapult
12:20 – 12:35 Flash poster presentation
12:35 – 14:00 Lunch and posters
Chair: Kepa Burusco-Goni
14:00 – 14:30 Integrating multiparametric high content imaging with machine learning and pathway profiling to inform drug discovery – Prof. Neil Carragher, Phenomics Discovery Initiative: University of Edinburgh
14:30 – 15:00 Centaur Chemist™ in 3D: AI powered design of small molecules accelerated by structure-based constraints – Catarina Santos, Exscientia
15:00 – 15:20 Break with coffee
15:20 – 15:50 Enabling the Age of Digital Chemistry – Prof. Mimi Hii, Imperial College: Centre for Rapid Online Analysis of Reactions
15:50 – 16:20 Molecular Simulation to Aid Discovery of αvβ6 Integrin Inhibitors – Ellen Guest, University of Nottingham
16:20 – 16:25 Poster Prize and close