Workflow and XML components for computational chemistry

Web Services for Environmental Applications, 2005-01-25, NIEeS, Cambridge

Peter Murray-Rust and Yong Zhang, Unilever Centre for Molecular Informatics, University of Cambridge, UK, pm286@cam.ac.uk/yz237@cam.ac.uk

• Modular component design: data, ontology, software
• workflow/protocols
• Web services

Support from DTI/CeSC and Unilever PLC