The UK QSAR and Cheminformatics Group 2020 Autumn Meeting was held virtually on 15th October 2020 and hosted by the Medicines Discovery Catapult focusing on accelerating Hit-2-Lead and Lead Optimisation.
We were 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.
In addition to the speaker presentations, an interactive parallel poster session and a panel discussion was taking place (Click here to watch the poster flash presentations).
Agenda
09:15 Welcome (Click here to watch)
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) (Click here to watch)
10:00 – 10:30 Exploiting Reduced Graphs for Molecular Exploration and Exploitation
Jess Stacey (University of Sheffield) (Click here to watch)
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) (Click here to watch)
11:45 – 12:15 Panel Discussion
12:15 – 14:00 Lunch & Parallel Poster (Click here to watch the poster flash presentations)
Chair, Kepa Burusco Goni (MDC)
14:00 – 14:30 Enabling the Age of Digital Chemistry
Benjamin Deadman (Imperial College: Centre for Rapid Online Analysis of Reactions) (Click here to watch)
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) (Click here to watch)
15:00 – 15:15 Break
15:15 – 15:45 AI and automation for drug design
Ola Engkvist (AstraZeneca) (Click here to watch)
15:45 – 16:15 AssayNet: A directed assay graph for drug discovery
Prof. John Overington (MDC) (Click here to watch)
16:15 Wrap up
UK QSAR Autumn 2020 Meeting