CDK Workshop 2009 #2

The second CDK Workshop day started off with application presentations, which are well covered by Chris’ blog posts:

• John van Drie’s talk on CDK in Virtual Drug Discovery,
• Asad Rahman on Small molecules and reaction mechanism - Rewiring the enzyme space, and
• Oliver Karch about Molwind - Using CDK to Visualize Molecule Spaces in a Geospatial Context.

You can also find coverage on Twitter by Jim and Nico.

The afternoon we had a more development-oriented unconference. It was a bit exciting for me and Chris as previous such sessions at CDK workshops involved 5 to 10 participants instead some 20+ now, but things nicely self-organized into 5 sessions:

In words, and linking to the coverage in the CDK wiki:

• JChemPaint/Rendering
• Mining ChEMBL with CDK pharmacophore stuff
• Threading group
• Top 10 improvements (CDK WS 2009 unconference)
• Clojure (see also Jim’s blog 2D Molecule Diagrams in Clojure)