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Day 1 - Wednesday, June 13th 8.40 - 17.05 |
| Title |
Presenter(s) |
Institution(s) |
| ChemAxon Overview |
David Spender |
ChemAxon |
| Migrating chemical information to new architectures |
Andrew Lemon |
Edge Consultancy |
| Chemical Terms, a Language for Cheminformatics |
Gyorgy Pirok |
ChemAxon |
| JChem Base and Cartridge latest |
Szabolcs Csepregi |
ChemAxon |
| Development of a web-based compound database system at Teijin Pharma: Integration of the compound database and other existing systems |
Ryo Sogawa |
Teijin Pharma |
| ChemAxon's Marvin & JChem (v 3.1.3) vs. MDL® ISIS/Draw ISIS/Host (v 4.0) |
David Roush |
FMC Corp |
| Instant JChem - launching the 2.0 release |
Tim Dudgeon |
Informatics Matters/ChemAxon |
| Extending Instant JChem |
Petr Hamernik |
Informatics Matters/ChemAxon |
| Instant JChem - Development direction discussion |
All attendees |
Tim Dudgeon chairs |
| An Integrated Approach to Library Design |
Patrick Walters |
Vertex Pharmaceuticals |
| Reactor latest |
Gyorgy Pirok |
ChemAxon |
| KNOWTOX, a Franco-Hungarian collaborative project relative to toxicity |
Elodie Dubus |
Aureus Pharma |
| Introducing Metabolizer |
Gyorgy Pirok |
ChemAxon |
Day 2 - Thursday, June 14th 9.00 - 17.20 |
| Title |
Presenter(s) |
Institution(s) |
| Partner lightning round presentations: |
|
Chemistry Logic , DeltaSoft, Genedata, Jubilant BioSys, KLEE Group, Synaptic Science, The Edge Software Consultancy,Virtua Drug |
| Speeding up the development of cheminformatics tools with Marvin, the example of Discrete Substructure Analysis at Merck Serono |
Christophe Cleva |
Merck Serono |
| Determination of solvation parameters using MarvinSketch |
Paul Laffort |
CNRS |
| What's new in Marvin and development discussion |
David Spender |
ChemAxon |
| IUPAC Naming |
Daniel Bonniot |
ChemAxon |
| VERDI - An Extensible Cheminformatics System |
Patrick Walters |
Vertex Pharmaceuticals |
| JKlustor - latest with library MCS |
Miklos Vargyas |
ChemAxon |
| Markush, what's new + development discussion |
Szabolcs Csepregi |
ChemAxon |
| Docking@Grid-A Web Portal for Massively Parallel Flexible Docking, using the ChemAxon Toolkit |
Dragos Horvath |
CNRS |
| Introducing Parameter-Free Linear Relationship (PFLR) for 3D QSAR |
Odon Farkas |
ChemAxon |
| Integrating JChem, Marvin, and Calculator Plugins into a Collaborative Drug Discovery (CDD) Database for Neglected Diseases: Arc |
Barry Bunin |
Collaborative Drug Discovery
|
| Corporate Registration System - A future solution |
Akos Papp |
ChemAxon |
Posters exhibited |
| Title |
Institution(s) |
Author(s) |
| ChemAxon's chemo-informatics toolkit integration into the Affectis Data Management System
|
Affectis Pharmaceuticals |
Nkemdilim Uwaje, Markus Panhuysen |
| Clustering studies on 5-HT4 ligands |
CERMN, UPRES EA 3915, 5 rue Vaubénard, 14032 Caen Cedex |
Thibault Varin, Nicolas Saettel, Jonathan Villain, Aurélien Lesnard, François Dauphin, Ronan Bureau, Sylvain Rault
|
| Advanced Automatic Generation of 3D Molecular Structures |
Laboratory of Chemical Informatics, Institute of Chemistry,
Eötvös Loránd University, Budapest |
Gabor Imre, Adrian Kalaszi, Imre Jakli, Odon Farkas
|
| JChem Cartridge: Cheminformatics Platform for Oracle |
ChemAxon |
Peter Kovacs, Szilard Dorant, Szabolcs Csepregi, Nora Mate, Gyorgy Pirok, Ferenc Csizmadia |
| Standardizer - Molecular Cosmetics for Chemoinformatics |
ChemAxon |
György Pirok, Nora Mate, Istvan Cseh, Attila Szabo, Szilard Dorant, Peter Kovacs, Szabolcs Csepregi, Alex Allardyce, Ferenc Csizmadia |
| A method for calculating the pKa values of small and large molecules |
ChemAxon |
Jozsef Szegezdi, Ferenc Csizmadia
|
| Community-based approach to research on infectious diseases of the developing world and global health
|
Collaborative Drug Discovery Inc |
Rita Stanikunaite PhD, Arnas Palaima PhD, Barry A. Bunin PhD |
| J-STRIKETM : Structure Information and Knowledge Explorer
Web-based compound database management system
|
Infocom Corporation |
Takahiro Ohshima |
| Using ChemAxon tools In evaluating compounds for
BCS(Biopharmaceutics Classification System) in ADME |
Infocom Corporation |
Yoichiro Hamazaki, Atsuro Takahashi |
