The Spring UKQSAR & Cheminformatics Society Meeting will be held at the Francis Crick Institute, London, on Tuesday 15th April 2025. The meeting is organised and hosted jointly by MSD and OpenEye, and is free. Registration closes on 1st April 2025. The theme for this meeting is a smorgasbord of science.
Please register here.
| 9:00 | Open registration, coffee/tea | |
| 9:45 | Welcome and opening remarks | Steve St-Gallay |
| Session 1 | Chair: Val Gillet | |
| 10:00 | A Scientific Smorgasbord | Paul Hawkins (OpenEye) |
| 10:30 | FraGrow Frow Fragments to LLMs | Peter EGF Ibrahim (University of Dundee) |
| 11:00 | Empowering scientists: delivering AI tools through an ELN framework at the enterprise level | Ting Qin and Aparna Chandrasekaran (Sygnature Discovery) |
| 11:30 | Macrocyclic ligand optimisation: Integrating computational approaches with biophysical data | Himani Tandon (Optibrium) |
| 12:00 | Lunch and poster session | |
| Session 2 | Chair: Mike Bodkin | |
| 13:30 | Harnessing rapid transformer workflows for generative drug design | Keishi Kohara (AstraZeneca) |
| 14:00 | AI/ML Deployment in Orchestration in Evotec | Will Pitt (Evotec) |
| 14:30 | Exploration of synthesis space by application of evolutionary strategies | Emma Armstrong (University of Sheffield) |
| 15:00 | Break | |
| Session 3 | Chair: Franca Klingler | |
| 15:30 | Benchmarking 3D Structure-Based Molecule Generators | Natasha Sanjrani (GSK) |
| 16:00 | Open Free Energy – Open Source Alchemy | Josh Horton (Open Free Energy) |
| 16:30 | Concluding remarks, poster prize winner announcement and close | David Clark |
No smoking or vaping on site.
For poster presenters
Poster boards measure 1600 mm x 1600 mm and can display one A0 poster per side. If you are able to specify poster sizes then 2 A1 portrait posters will fit per side, so you can display four per board.
Travel
The best route is by rail or London Underground. The Francis Crick Institute is a 2 minute walk from London St Pancras International Station, and 3 minutes from London Kings Cross Station, which can be reached by London Underground (Keeping London moving – Transport for London (tfl.gov.uk)). London is served by several airports and the Eurostar terminates at St Pancras.
