UKQSAR Autumn 2020 Meeting – 15th October 2020 Virtual Meeting Hosted by the Medicines Discovery Catapult

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).


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

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
(Click here to watch)

15:45 – 16:15 AssayNet: A directed assay graph for drug discovery
Prof. John Overington
(Click here to watch)

16:15 Wrap up

UK QSAR Autumn 2020 Meeting