The meeting is organised by Dr 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
