Monday 19th June

9:00-10:45 Registration, with Coffee/Tea available from 10:30

10:45-11:00 Welcome

  De Novo Design

Chair: Garrett Morris

11:00-11:30 An in-silico Benchmarking Platform for Generative de novo Drug Design. James Webster Evotec – Abstract
11:30-12:00 Fragmenstein: Stitching Compounds Together. Matteo P. Ferla University of Oxford – Abstract
12:00-12:30 DrugEx: Deep Learning for de novo Drug Design – A Case for A2B Selective Ligands. Sohvi Luukkonen University of Leiden – Abstract

12:30-14:00 Sit-down lunch

Poster set-up and exhibition

Open Science

Chair: Barbara Zdrazil

14:00-14:30 Resolving Code Names to Structures from the Medicinal Chemistry Literature: Not as FAIR as it Should Be. Roxanna-Maria Rujan Medicines Discovery Catapult. – Abstract
14:30-15:00 QSPRpred: A Flexible and Open Quantitative Structure-Property Relationship Modelling Tool. Helle W. van den Maagdenberg University of Leiden – Abstract
15:00-15:30 PKSmart: An Open-Source Computational Model to Predict in vivo Pharmacokinetics of Small Molecules. Srjit Seal University of Cambridge – Abstract

15:30-16:00 Coffee/Tea

Chemical Space

Chair: Matthias Rarey

16:00-16:30 Illuminating the Chemical Space of Untargeted Proteins. Maria J. Falaguera EMBL-EBI – Abstract
16:30-17:00 Handling Large Chemical Spaces in Structure-Based Drug Design. Noel M. O’Boyle Sosei Heptares – Abstract
17:00-17:30 Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space. Daniel J Woodward Exscientia – Abstract


Drinks reception, Buffet supper, Posters and exhibition

Sponsored by

Chemaxon MedChemica