EBI Training EBI User Training Programme Hands-on Chemistry Development Kit Downloads

Joint EBI-Industry Programme Workshop - Chemistry Development Kit

Course Summary

Title: Chemistry Development Kit
Date: 20-21 April 2009
Venue: Hinxton, Cambridge, UK
Organisers: Christoph Steinbeck, Dominic Clark, Mark Forster
Admin Support: Liz Ford, Holly Edwards (logistics), Jan Copeland (registration)

Program Contents

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Downloadable Files
Day 1 - Mon 20th Apr 2009
Workshop Overview And Introduction To CDK (Christoph Steinbeck, EMBL-EBI) CDK Installation and basics (Egon Willighagen) CDK and databases (Mark Rijnbeek) Fingerprint Exercise (Mark Rijnbeek) Fingerprint Solution (Mark Rijnbeek) Accessing and scripting CDK from Bioclipse (Ola Spjuth) CDK based workflows - Knime (Thorsten Meinl and Bernd Wiswedel)
Day 2 - Tue 21st Apr 2009
Virtual Drug Discovery (John van Drie) Small molecules and reaction mechanism - Rewiring the enzymatic pathway space (Asad Rahman) Molwind - Using CDK to visualize Molecule Spaces in a Geospatial Context (Oliver Karch) Observations from industry representatives (Mark Forster)

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