× Medicines Discovery Catapult

Alderley Park Conference Centre

Date(s) 23rd April 2020     Time 9:00 am - 4:30 pm


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 ExploitationJess Stacey, University of Sheffield

10:30 – 11:00 AI and automation for drug designOla 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 modelsAl Dossetter, Medchemica

11:50 – 12:20 Leveraging machine learning approaches for target-focused De Novo drug designCharlie 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 discoveryProf. 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 constraintsCatarina Santos, Ex Scientia

15:00 – 15:20 Break with coffee

15:20 – 15:50 Enabling the Age of Digital ChemistryProf. Mimi Hii, Imperial College: Centre for Rapid Online Analysis of Reactions

15:50 – 16:20 Molecular Simulation to Aid Discovery of αvβ6 Integrin InhibitorsEllen Guest, University of Nottingham

16:20 – 16:25 Poster Prize and close

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