ChemTaverna

ChemTaverna is a pilot project currently being undertaken to investigate the application of Taverna in cheminformatics by scientists at the School of Chemistry, University of Southampton in collaboration with developers at the Manchester Interdisciplinary Biocentre.

A range of cheminformatics services will be made available for use in the Taverna workbench in addition to workflows showing how they can be used in data analyses. The results from cheminformatics workflows will be shared by the use of blogs to provide a notebook record of data analyses. The ChemTaverna project will also investigate how laboratory instrumentation can be controlled in workflows
for use in closed-loop optimization experiments to enhance the performance of analytical instruments.