The Chemistry Development Kit (CDK) project have developed a plugin to allow their tools to be used within Taverna workflows.
There is a myExperiment group for workflows using the CDK-Taverna plugin.
This work has been described in the poster Creating chemo- & bioinformatics workflows, further developments within the CDK-Taverna Project by Kuhn et al.
The latest posts from the CDK Taverna Web site are:
