Virtual Meeting
Accelerating Hit-2-Lead and Lead Optimisation
09:00 - 16:30 BST
Thursday 15th October 2020
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09:15 Welcome
Chair, Anna Pallo (MDC)
09:30 - 10:00 Accelerating lead optimisation with Active Learning - joining MMPA ADMET knowledge with Regression Forest machine learning models
Al Dossetter (Medchemica)
10:00 - 10:30 Exploiting Reduced Graphs for Molecular Exploration and Exploitation
Jess Stacey (University of Sheffield)
10:30 - 10:45 Break
10:45 - 11:15 Centaur Chemist™ in 3D: AI powered design of small molecules accelerated by structure-based constraints
Catarina Santos (Exscientia)
11:15 - 11:45 Leveraging machine learning approaches for target-focused De Novo drug design
Charles Bury (MDC)
11:45 - 12:15 Panel Discussion
12:15 - 14:00 Lunch & Parallel Poster
Chair, Kepa Burusco Goni (MDC)
14:00 - 14:30 Enabling the Age of Digital Chemistry
Prof. Mimi Hii (Imperial College: Centre for Rapid Online Analysis of Reactions)
14:30 - 15:00 Integrating multiparametric high content imaging with machine learning and pathway profiling to inform drug discovery
Prof. Neil Carragher (Phenomics Discovery Initiative: University of Edinburgh)
15:00 - 15:15 Break
15:15 - 15:45 AI and automation for drug design
Ola Engkvist (AstraZeneca)
15:45 - 16:15 Molecular Simulation to Aid Discovery of αvβ6 Integrin Inhibitors
Ellen Guest (University of Nottingham)
16:15 Wrap up
UK QSAR Autumn 2020 Meeting
Agenda
The UK QSAR and Cheminformatics Group 2020 Autumn Meeting will be a virtual meeting hosted by the Medicines Discovery Catapult focusing on accelerating Hit-2-Lead and Lead Optimisation.
We are fortunate to have the same great panel of speakers from big pharma, academia and fast expanding biotechs from the cancelled Spring Meeting earlier this year - please note, if you registered for the Spring Meeting, you will still need to register again for this event.
In addition to the speaker presentations, an interactive parallel poster session will take place and a panel discussion will be added.
If you wish to present a poster, please indicate on the registration form.
About the event
