ChemAxon b124dd5f17
14-08-2008 11:07:25
US UGM 2008 ChemAxon Presentations
Archive of all ChemAxon Presentations of UGM 2008 Boston
This is the scientific presentation list ordered according to presentation sequence.
If visitors would like to forward questions to authors please send an email to nlapusnyik_at_chemaxon.com and I can forward to the author.
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http://www.chemaxon.com/UGM/08/US/program_usa.html
ChemAxon b124dd5f17
14-08-2008 11:14:34
Thursday August 7th
Title: Company Overview
Presenter: Alex Drijver
Abstract: Future strategy, current developments, long term plans, mission & vision
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ChemAxon 0815c054e1
25-08-2008 09:28:37
Title: Product Overview
Presenter: Larry Norder
Abstract: Overview the current ChemAxon product lineup, both platform IT and discovery tools and highlight new and interesting functionalities introduced in the last year
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User 98afc958c2
25-08-2008 11:06:21
Title: Chemical Database Management with JChem Base and Cartridge
Presenter: Szabolcs Csepregi
Abstract: JChem Base is a chemical database management toolkit to handle chemical structures and associated data (user-defined or predicted), stored in relational databases. JChem Cartridge provides similar functionality highly integrated into Oracle as well as an Oracle interface to other ChemAxon products.
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User 98afc958c2
25-08-2008 12:36:33
Title: Standardizer: canonicalization, conversion and registration.
Presenter: Gyorgy Pirok
Abstract:Standardizer is a popular component of compound registration systems providing customizable functions for the transformations of mesomers, tautomers, salts and solvents in the molecule files and databases. New actions help to convert molecule libraries and to restore the chemical information encoded in old compound databases.
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User 98afc958c2
25-08-2008 12:55:29
Title: Combinatorial Markush at ChemAxon: from drawing to analysis
Presenter: Szabolcs Csepregi
Abstract: Markush structure handling at ChemAxon range of products will be presented, including drawing, visualization and generation of Markush structures, Markush enumeration techniques and searching. It will be shown how libraries more complex than 10^30 library size are handled, with the generic description including R-groups, atom and bond lists, link nodes and position variation. Further developments towards patent Markush structure handling will be also discussed.
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User 98afc958c2
25-08-2008 13:02:48
Title:Reactor and Metabolizer: in vitro, in vivo and in situ in silico
Presenter: Gyorgy Pirok
Abstract: ChemAxon developed a unique virtual reaction technology that could be applied in various areas of molecule transformations. Reactor is a virtual combichem application providing synthetically feasible products using generic reactions. No reagent selection is required, and built in rules can provide chemo- regio- and stereospecificity during the library enumeration progress. A new application using the same reaction engine is introduced for the first time for the prediction of metabolic stability and xenobiotic metabolites.
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User 98afc958c2
25-08-2008 13:24:47
Title:Pipelining ChemAxon
Presenter: Szilard Dorant
Abstract: As a recent change in the ChemAxon - SciTegic collaboration, ChemAxon took over the responsibility for developing the ChemAxon Pipeline Pilot component collection with continued active support from our partner. A new, improved collection package has been released since then by ChemAxon in March 2008. The presentation covers the new components, improvements of existing components and plans for future development.
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User 98afc958c2
25-08-2008 13:48:10
Friday August 8th
Title:Sketching, viewing and predicting properties with Marvin: features, tips and tricks
Presenter: Gyorgy Pirok
Abstract: This general presentation on Marvin will summarize the features, and detail the latest additions and improvements. The most important and newest features will be demonstrated, providing tips and tricks for their quicker and easier usage. The list of potential future features will also be presented, including the 'traditional' voting session.
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User 98afc958c2
25-08-2008 13:50:54
Title:Clustering made human
Presenter: Miklos Vargyas
Abstract: Clustering chemical structures alleviates the tedious task of browsing a large set of compounds by grouping individual structures into generic categories. ChemAxon's JKlustor product offers clustering solutions ranging from similarity based non-hierarchical method to a pure graph based technique. This latter exhibits some clear advantages over the more conventional approaches: clusters are more likely to meet human expectations and tangible explanation why certain compounds are grouped together is also produced. And even it is faster. If you 'farm your classes' then it's time to 'MCS your library'!
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User 98afc958c2
25-08-2008 14:06:14
Title:New product launch: JChem for Excel
Presenter: Ferenc Csizmadia
Abstract: JChem for Excel allows scientists to use JChem's features in the popular Office environment. It is implemented in .NET, so it also demonstrates the possibilities of integrating the Java based JChem, with .NET using open source technologies. The initial features are: Searching JChem databases, searching JChem Cartridge, R-group decomposition, calculation of molecular properties, SDF, XML import export.
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