May 6th, 2008, Visegrad, Hungary - immediately preceding the User Group Meeting (May 7-8th)
The workshop/training day has 2 separate tracks; a Training track for developers focused on ChemAxon's Application Program Interface (API) and workshop for end users wanting to explore Instant JChem and other ChemAxon applications.
All attendees will receive documentation, complete code for worked examples and a time limited license to all ChemAxon functionality.
Track 1: Developer Training
This track will work with real life problems and work through concepts, API and examples to understand how to integrate ChemAxon's components in discovery pipelines and custom applications.
Topics to include;
- structure representation (implicit/explicit hydrogen atoms, stereo-chemistry etc)
- structure storage in the JChem database
- using hashed chemical fingerprints to speed up substructure search
- embedding MarvinView and MarvinSketch in an HTML page
- customising Marvin in client applications (enable/disable tool bars, menu items; show/hide hydrogen atoms, labels, etc)
- embedding Marvin in Swing components and implementing action listeners
- reading and writing structural and chemical data in various file formats
- searching for molecular structures in chemical databases and sorting hit lists
- visualizing search hits
- fine tuning/optimizing structural searches
- structure canonicalisation during compound registration and in hit visualisation
By the end of the training attendees should have an understanding of ChemAxon's major API classes and be familiar with coding and optimising implementations for common cheminformatics tasks.
Track 2: End End User Workshop
This will be based around Instant JChem, but will include several other ChemAxon tools and applications including Marvin, Calculator Plugins and Standardizer.
Topics to include;
- drawing chemical structures with Marvin Sketch
- creating chemical databases
- file import and export
- advanced structure searched
- combining structure search with searches on other data fields
- list and query management
- structure based predictions using Chemical Terms
- structure canonicalization using Standardizer
- creating relational data models
- building form and tabular reports
- sharing data with other users
By the end of the training attendees should be able to design and create simple chemical databases, populate them with data, execute complex searches on contents and design reports for viewing the results. Attendees will be able to use structure based predictions to enhance the information in the database and to further refine the searches that can be run.
"Live Forum" Sessions - ChemAxon offices
Training and Workshop attendees can consult with the most relevant ChemAxon developer and work through/explore real attendee problems.
The Live Forum Sessions will occur after the Developer Training and End User Workshop at the ChemAxon offices - all transport will be provided.
Costs and sign up
The event will cost Euro 350 (180 for academics and students). For European attendees there is a 20% local tax. The cost includes all refreshments and lunch.
To register for the training day please visit this page. This training is co-hosted with ChemAxon's User Group Meeting.