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Thursday 19th |
| Title |
Presenter(s) |
Institution(s) |
| Virtual Classrooms and E-Learning: Bringing Cheminformatics Training Into Academic and Industrial Settings. |
TJ *O'Donnell1, John MacCuish2 and Norah MacCuish2 |
O'Donnell Associate1, Mesa Analytics & Computin2 |
| What is Marvin and how to..? |
Gyorgy Pirok, Szilard Dorant,Tamas Vertse |
Chemaxon |
| Developing a Compact Chemical Database System Using Marvin Tools |
*Deniz Akyuz 1,2, Charlie Chang 1,3, Ying Lin1, Joanna Liu 1, Lei Xia 1,3 |
NeoGenesis Pharmaceuticals1; Merck Research Laboratories2; Schering-Plough, AG3 |
| Structural search using ChemAxon tools. |
Szabolcs Csepregi |
Chemaxon |
| A Reagent Management System for Requests & Purchasing using JChem. |
Robert D. Feinstein |
Kelaroo, Inc. |
| JChem Base - structure database engine. |
Szilard Dorant |
ChemAxon |
| LeadMarker® - an integrated suite for managing chemical and biological information. |
*Tim Dudgeon1, Robert Bamford2, Chris Palmer3 |
Informatics Matters Ltd1, Managed Ventures2, KCC Tech Pty Ltd3 |
| Compound storage and retrieval with JChem Cartridge for Oracle. |
Peter Kovacs |
ChemAxon |
| Real World Chemistry - virtual chemistry in the real world. |
*Joe Mernagh, Gyorgy Pirok |
Active Dynamics Ltd, Chemaxon |
| ChemAxon's Java Components in a Heterogeneous, Server-Centric Application Environment. |
*Mark Runyan, Richard Sandstrom, Julie Myhre, Alex Tulinsky |
CTI Scientific Systems |
Friday May 20th |
| Title |
Presenter(s) |
Institution(s) |
| Using ChemAxon Toolkits in the GNF Lead Discovery Database |
Hayk Asatryan, Dimitri Petrov, S. Frank Yan, Andrey Santrosyan, Kaisheng Chen, Shumei Jiang, Jeff Janes, *Yingyao Zhou |
Genomics Institute of the Novartis Research Foundation |
| Predicting structure properties with Calculator Plugins. |
*Nora Mate, Jozsef Szegezdi |
ChemAxon |
| VS Explorer - analysing large scale docking experiments. |
*Marc Zimmermann, Martin Hofmann |
Fraunhofer-Institute for Algorithms and Scientific Computing (SCAI) |
| In silico synthesis. |
Gyorgy Pirok |
ChemAxon |
| Automatic generation of 3D structures and conformers of molecules in Marvin - Clean/3D (latest developments). |
Odon Farkas |
ChemAxon |
| MarvinSpace - pre-product demonstration. |
*Miklos Vargyas, *Judit Papp |
ChemAxon |
| Seurat: A Tool for navigating SAR. |
*J Baxendale, K Scott, N Southall, T Nguyen, L Verma, H. Wolters, Ajay |
Celera Genomics |
| Workflow Cheminformatics. |
*Kanishka Karunanayake, Dr Francois Gilardoni |
Inforsense |
| Improved Virtual Screening Strategies and Enrichment of Focused Libraries in Active Compounds Using Target-Oriented Databases |
*Ismail Ijjaali, Mary Donlan, François Petitet and André Michel |
Aureus-Pharma |
| Compound library annotation |
Miklos Vargyas |
ChemAxon |
