ACD/Labs 7th Annual European Users' Meeting 2006 (EUM) & 3rd Annual PhysChem Symposium 


 

 
ACD/Labs 7th Annual European Users' Meeting 2006

Third Annual PhysChem Symposium & ACD/Labs European PhysChem Users' Meeting

Hotel Le Parc, Obernai, France
October 17–19, 2006

Hotel Le Parc
169, route d'Ottrott - BP
67213 Obernai Cedex

AGENDA—Thursday, October 19, 2006

8:00–9:00 Registration
9:00–9:10 Welcome and Introduction: Meeting Logistics, Guy Desmarquets (ACD/Labs)
Session I: Leveraging PhysChem Modeling and Structure Design in Drug Discovery
9:10–9:40 "Isoeletric Point of Proteins calculated with ACD/Labs pKa Predictor?", Leif Nørskov-Lauritsen (Novo Nordisk-Denmark)
9:40–10:10 Corporate Collection Enrichment, Luca Sartori (Genextra-Italy)
10:10–10:30 Workshop on "Leveraging PhysChem Modeling and Structure Design in Drug Discovery"
10:30–11:00 Coffee Break (Including Software Demonstration)
Session II: Absorption and Permeability, the Challenges the Industry is Facing!
11:00–11:30 Molecular Properties and Absorption: Lessons Learnt from Metadata Analysis, Bernard Faller (Novartis-Switzerland)
11:30–12:00 In Silico Simulation of Compound Polymorphism and Amphipathy in Membrane Absorption and Permeability, Robert Brasseur (Centre de Biophysique Moléculaire Numérique, Faculté des Sciences Agronomiques de Gembloux, Belgium)
12:00–12:30 Workshop on "Absorption and Permeability, the Challenges the Industry is Facing"
12:30–2:00 Lunch Break
Session III: User's Meeting
2:00–2:10 ACD/Labs PhysChem Overview, Greg Pearl (ACD/Labs)
2:10–2:40 Structure Designer—A Tool to Optimise PhysChem Properties in Early Drug Discovery, Ian Peirson (ACD/Labs) on behalf of Klara Valko (GSK-UK)
2:40–3:10 Simple Tools for SAR Management: ACD/Labs @ Ranbaxy, Sreedhara Rao Voleti (Ranbaxy, India)
3:10–3:40 Coffee Break (Including Software Demonstration)
3:40–3:50 PhysChem Professional Services & Research Collaborations, Greg Pearl (ACD/Labs)
3:50–4:10 pKa Accuracy Extender Professional Services Tools, Eduard Kolovanov (ACD/Labs, Russia)
4:10–4:30 Estimating Blood Brain Barrier Penetration Based on Structure, Karim Kassam (ACD/Labs)
4:30–4:45  What's New in Version 10 & Live Demo on What's New, Greg Pearl & Karim Kassim (ACD/Labs)
4:45–5:00 ACD/Labs Version 11 and Beyond, Greg Pearl (ACD/Labs)
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