| 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 Slides |
| 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 Slides |
| 14:30-15:00 | QSPRpred: A Flexible and Open Quantitative Structure-Property Relationship Modelling Tool. Helle W. van den Maagdenberg University of Leiden – Abstract Slides |
| 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 |
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| 16:00-16:30 | Illuminating the Chemical Space of Untargeted Proteins. Maria J. Falaguera EMBL-EBI – Abstract Slides |
| 16:30-17:00 | Handling Large Chemical Spaces in Structure-Based Drug Design. Noel M. O’Boyle Sosei Heptares – Abstract Slides |
| 17:00-17:30 | Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space. Daniel J Woodward Exscientia – Abstract Slides |
| 18:30-late |
Drinks reception, Buffet supper, Posters and exhibition Sponsored by
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