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Joint EBI-Industry Programme Workshop - Chemistry Development Kit

Venue: 
European Bioinformatics Institute, Cambridge, CB10 1SD
United Kingdom
See map: Google Maps
Date: 
Monday, April 20, 2009 - Tuesday, April 21, 2009
Organizers: 
Christoph Steinbeck , EMBL-EBI, UK
Mark Forster
Dominic Clark , EMBL-EBI, UK
Admin support: 
Holly Foster , EMBL-EBI, UK
Liz Ford
Janet Copeland
Registration Deadline: 
Monday, April 6, 2009
Participation: 
Open application with selection
Overview | Programme | Registration | Trainers | Speakers | Venue | Contacts

Overview

 

The Chemistry Development Kit (CDK) is a Java library for structural chemo- and bioinformatics. It is now developed by more than 40 developers all over the world and used in more than 10 different academic as well as industrial projects world wide .

Since the appointment of Chris Steinbeck as head of Cheminformatics at the EBI, one of the founders and his team of CDK developers are now located at Hinxton. The motivation of this workshop is to provide industry and other users with first-hand experience of the use of CDK and to understand and influence its future directions. The workshop will comprise four elements:

  • Hands-on Use use and case study tutorials    
  • CDK-related research talks    
  • Discussion on future developments and priorities    
  • A developers' workshop

Programme

 
Time Topic
Day 1 - Mon 20th Apr 2009
12:00 - 13:30 Registration and Lunch
13:30 - 14:00 Workshop Overview And Introduction To CDK (Christoph Steinbeck, EMBL-EBI)
14:00 - 14:45 Tutorial Session 1 - CDK Installation and basics (Egon Willighagen, Uppsala University, Sweden)
14:45 - 15:00 Short break
15:00 - 15:45 Tutorial Session 2 - CDK and databases (Mark Rijnbeek, EMBL-EBI)
15:45 - 16:15 Tea/Coffee break
16:15 - 17:00 Tutorial Session 3 - Accessing and scripting CDK from Bioclipse (Ola Spjuth)
17:00 - 17:15 Workshop Photo Session
17:15 - 18:00 Tutorial Session 4 - CDK based workflows - Knime (Thorsten Meinl and Bernd Wiswedel, University of Konstanz)
18:00 - 18:30 Closing discussion
18:30 - 19:30 Drinks Reception
19:30 - 21:00 Dinner At Hinxton Hall
Day 2 - Tue 21st Apr 2009
09:00 - 09:15 Tea/Coffee
09:15 - 09:30 Resume of previous day (Christoph Steinbeck, EBI)
09:30 - 11:00 CDK related research talks
  • "Virtual Drug Discovery" (John van Drie)
  • "Small molecules and reaction mechanism - Rewiring the enzymatic pathway space" (Asad Rahman, EMBL-EBI)
  • "Molwind - Using CDK to visualize Molecule Spaces in a Geospatial Context" ( Oliver Karch, Merck-Serono)
15 minutes discussion
11:00 - 11:30 Tea/Coffee Break
11:30 - 13:00 Workshop On Future Developments (Chair - Christoph Steinbeck, EBI)
  • Plans for future development and strategy
  • Observations from industry representatives (Mark Forster, Syngenta)
  • Open discussion
13:00 – 14:00 Lunch
14:15 - 18:00 CDK Community Satellite Workshop
18:00 Close Of Workshop

Registration

 

Registration Closed.

Additional Information

 

Course materials are available to download from the following link:

/training/sites/ebi.ac.uk.training/files/materials/2009/course_090420_cdk_industry.zip

Tags:
bioinformatics CDK chemistry chemoinformatics