Spring UK QSAR
Please register to attend Spring UK QSAR hosted by OpenEye, Cadence Molecular Sciences and MSD.
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.
Participants are encouraged to submit an abstract for poster presentation by selecting this option in the application form. All posters need to be pre-printed in A1 size (portrait).
Participants are encouraged to submit an abstract for poster presentation by selecting this option in the application form. All posters need to be pre-printed in A1 size (portrait).
Meeting agenda
Time | Session | Speakers |
9:00 | Open registration, coffee/tea | |
9:45 | Welcome and opening remarks | Steve St-Gallay |
Session 1 | ||
10:00 | A Scientific Smorgasbord | Paul Hawkins (OpenEye, Cadence Molecular Sciences) |
10:30 | FraGrow Frow Fragments to LLMs | Peter 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 | ||
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 | ||
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 |
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OpenEye, Cadence Molecular SciencesOrganizer of Spring UK QSAR