Spring UK QSAR
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Spring UK QSAR


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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).

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

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