{"id":2912,"date":"2025-03-05T11:29:39","date_gmt":"2025-03-05T11:29:39","guid":{"rendered":"https:\/\/ukqsar.org\/?p=2912"},"modified":"2025-03-05T11:29:43","modified_gmt":"2025-03-05T11:29:43","slug":"spring-meeting-2025","status":"publish","type":"post","link":"https:\/\/ukqsar.org\/index.php\/2025\/03\/05\/spring-meeting-2025\/","title":{"rendered":"Spring Meeting 2025"},"content":{"rendered":"\n

The Spring UKQSAR & Cheminformatics Society Meeting will be held at the Francis Crick Institute<\/a>, 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.<\/p>\n\n\n\n

Please register here<\/a>.<\/p>\n\n\n\n

9:00<\/td>Open registration, coffee\/tea<\/td> <\/td><\/tr>
9:45<\/td>Welcome and opening remarks<\/td>Steve St-Gallay<\/td><\/tr>
Session 1<\/strong><\/td> <\/td>Chair: Val Gillet<\/td><\/tr>
10:00<\/td>A Scientific Smorgasbord<\/td>Paul Hawkins (OpenEye)<\/td><\/tr>
10:30<\/td>FraGrow Frow Fragments to LLMs<\/td>Peter EGF Ibrahim (University of Dundee)<\/td><\/tr>
11:00<\/td>Empowering scientists: delivering AI tools through an ELN framework at the enterprise level<\/td>Ting Qin and Aparna Chandrasekaran (Sygnature Discovery)<\/td><\/tr>
11:30<\/td>Macrocyclic ligand optimisation: Integrating computational approaches with biophysical data<\/td>Himani Tandon (Optibrium)<\/td><\/tr>
12:00<\/td>Lunch and poster session<\/td> <\/td><\/tr>
Session 2<\/strong><\/td> <\/td>Chair: Mike Bodkin<\/td><\/tr>
13:30<\/td>Harnessing rapid transformer workflows for generative drug design<\/td>Keishi Kohara (AstraZeneca)<\/td><\/tr>
14:00<\/td>AI\/ML Deployment in Orchestration in Evotec<\/td>Will Pitt (Evotec)<\/td><\/tr>
14:30<\/td>Exploration of synthesis space by application of evolutionary strategies<\/td>Emma Armstrong (University of Sheffield)<\/td><\/tr>
15:00<\/td>Break<\/td> <\/td><\/tr>
Session 3<\/strong><\/td> <\/td>Chair: Franca Klingler<\/td><\/tr>
15:30<\/td>Benchmarking 3D Structure-Based Molecule Generators<\/td>Natasha Sanjrani (GSK)<\/td><\/tr>
16:00<\/td>Open Free Energy – Open Source Alchemy<\/td>Josh Horton (Open Free Energy)<\/td><\/tr>
16:30<\/td>Concluding remarks, poster prize winner announcement and close<\/td>David Clark<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n

No smoking or vaping on site.<\/p>\n\n\n\n

For poster presenters<\/strong><\/p>\n\n\n\n

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.<\/p>\n\n\n\n

Travel<\/strong><\/p>\n\n\n\n

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 \u2013 Transport for London (tfl.gov.uk)<\/a>).  London is served by several airports and the Eurostar terminates at St Pancras.<\/p>\n\n\n\n

\"\"<\/figure>\n","protected":false},"excerpt":{"rendered":"

The Spring UKQSAR & Cheminformatics Society Meeting will be held at the Francis Crick Institute, London, on Tuesday 15th April 2025.<\/p>\n","protected":false},"author":3,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_jetpack_newsletter_access":"","_jetpack_dont_email_post_to_subs":false,"_jetpack_newsletter_tier_id":0,"_jetpack_memberships_contains_paywalled_content":false,"_jetpack_feature_clip_id":0,"_jetpack_memberships_contains_paid_content":false,"footnotes":"","jetpack_post_was_ever_published":false},"categories":[4],"tags":[],"class_list":["post-2912","post","type-post","status-publish","format-standard","hentry","category-meetings"],"aioseo_notices":[],"aioseo_head":"\n\t\t\n\t\n\t\n\t\n\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t\n\t\t