Taverna is used by various projects for the creation of chemistry workflows. These include:
- Chemistry Development Kit (CDK) - integration of a chemistry-specific toolkit with Taverna
- Chemical Informatics and Cyberinfrastructure Collaboratory (CICC) -use of Taverna for workflow creation
Chemistry Development Kit¶
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:
- CDK-Taverna 2.0 Final version released
- CDK-Taverna 2.0 released
- CDK-Taverna installation instructions
- CDK-Taverna Version 0.5.1.1 released
- Time evaluation for calculating molecular descriptors using the cdk
- Atom typing on natural products with the cdk
- myExperiment.org plug-in for Taverna
Chemical Informatics and Cyberinfrastructure Collaboratory¶
Within the Chemical Informatics and Cyberinfrastructure Collaboratory (CICC) project
uses modern Grid technology to allow convenient integration of distributed chemistry tools, simulations, documents and databases among themselves and with similar biological resources.
The members of the CICC are developing Taverna workflows
which encapsulate important processes in chemoinformatics and drug design, use diverse kinds of information together in novel ways,
and which are of demonstrated scientific merit.