Meetings

UKQSAR Spring 2020 Meeting – 23rd April, Medicines Discovery Catapult, Alderley Park, Manchester

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.

Register Here

How To Get There

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