1st Annual PhysChem Symposium:
Early ADME and Medicinal Chemistry
Hotel Le Parc, Obernai, France
October 21, 2004
Hotel Le Parc
169, route d'Ottrott - BP
67213 Obernai Cedex
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Agenda
PhysChem Symposium
This one day symposium is aimed at providing mechanistic insight into the relationship between physical organic properties of drug candidates and their pharmacokinetics. In particular, we will focus attention on the role of the various ionic forms.
Join us and the distinguished speaker panel in an open and frank discussion of some very important, underdeveloped areas of scientific research with broad practical implications.
| 8:00 | |
Registration |
| 8:45 | |
Opening Remarks, Dr. Antony Williams & Dr. Guy Desmarquets (ACD/Labs) |
| 9:00 | |
The Role of Lipophilicity and Acid/Base Character in Drug Disposition "in vivo", Dr. Klara Valko (GSK, UK) |
| 9:30 | |
A New Approach to Assess Lead- and Drug-likeness, Dr. Herman Verheij (Pyxis Discovery, NL) |
| 10:00 | |
Coffee Break |
| 10:30 | |
Enhancing Knowledge Through a Combination of In-silico and In-vitro ADME Profiling Assays, Dr. Bernard Faller (Novartis, CH) |
| 11:00 | |
Can we Identify Models for Brain Uptake and Intestinal Absorption (PDF, 106 Kb), Professor Michael H. Abraham (London University College, UK) |
| 11:45 | |
Open Discussion |
| 12:15 | |
Lunch Break |
| 1:20 | |
Improving Solubility in Lead Selection and Compound Optimization, Dr. Bernard Faller (Novartis, CH) |
| 1:40 | |
Recent Work on Skin Permeation and Skin Uptake (PDF, 76 Kb), Professor Michael H. Abraham (London University College, UK) |
| 1:55 | |
Talk on Solubility and Permeability, TBA |
| 2:25 | |
Open Discussion & Concluding Remarks |
| 2:50 | |
End of Symposium and Coffee Break |
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PhysChem Users' Meeting (attendance limited to ACD/PhysChem users) |
| 3:20 | |
Property-based Drug Design: MedChem Advisor (PDF, 1.18 Mb), Karim Kassam (ACD/Labs) |
| 3:40 | |
Open Discussions: What Would be the Next Steps, Karim Kassam, Eduard Kolovanov & Antony Williams (ACD/Labs) |
| 3:55 | |
ADME at the Enterprise Level, Eric Milgram (ACD/Labs) |
| 4:10 | |
Handling Solubility Prediction: Introducing an New Algorithm, Mike McBrien (ACD/Labs) |
| 4:30 | |
Techniques for Improving LogP Prediction (PDF, 742 Kb), Karim Kassam (ACD/Labs) |
| 4:50 | |
Compute Speed, Platforms & Input/Output, Karim Kassam (ACD/Labs) |
| 5:10 | |
What's New in 8.0 PhysChem Release: Vision of the Future ACD/Labs Development
Round Table: How Can we Meet Your Expectations, Karim Kassam, Eduard Kolovanov, Eric Milgram, Mike McBrien & Antony Williams (ACD/Labs) |
| 5:55 | |
Concluding Remarks, Antony Williams & Guy Desmarquets (ACD/Labs) |
All of the participants who choose to stay over on Thursday night are welcome to join us for an informal dinner after the meeting.
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