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Workflows and applications in e-Science Central
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  1. Workflows and applications in e-Science Central Simon Woodman Hugo Hiden Paul Watson Jacek Cala

  2. Outline • What is e-Science Central? • Architecture and Features • Workflows and Applications

  3. Background: North East Regional e-Science Centre • 25 Research Projects across many domains: • Bioinformatics, Ageing & Health, Neuroscience, Chemical Engineering, Transport, Geomatics, Video Archives, Artistic Performance Analysis, Computer Performance Analysis,.... • Same key needs:

  4. Recent Trends • Web based • Works anywhere e-Science Central • Dynamic Resource • Allocation • Pay-as-you-Go • Controlled Sharing • Collaboration • Communities

  5. e-Science Central • ‘Active Repository’ • Integrated Store-Analyse-Automate-Share infrastructure • Bowkers “Standard Scientific Model” predicts data loss • Minimise and ideally remove • Generic • Cheminformatics as pilot

  6. Outline • What is e-Science Central? • Architecture and Features • Workflows and Applications

  7. Searching Storage Security Workflow Provenance Core Services

  8. Discussion Blogs Storage Searching Connections Security Groups Workflow Tagging Provenance Collaboration Services Core Services

  9. QSAR Blogs Storage Searching Discussion Modeling Connections Security Chemistry Groups Workflow Tagging Provenance R Scripts “Scientific” Services Collaboration Services Core Services

  10. QSAR Application Blogs Storage Searching Discussion Modeling Connections Security Application Chemistry Groups Workflow Application Tagging Provenance R Scripts Collaboration Services Core Services Expansion… “Scientific” Services

  11. Outline • What is e-Science Central? • Architecture and Features • Workflow and Applications

  12. Worklfows in e-Science Central Data Supply Services Publication and Storage Services Calculation and Third Party Services amazon web services ™

  13. Applications • Utilisee-Science Central Service • Present data in different ways • Microsoft Surface • Mobile Apps • Excel • REST API for data access, workflow management • Java and C# client libraries • Run outside e-Science Central • Served in iFrame • Standalone

  14. Discovery Bus Application • Discovery Bus • Automated QSAR (Quantitative Structure Actitivity Relationship) • Multi-agent System • Oracle PL/SQL, R, Java • Difficult and error prone to add agents • e-Science Central • agents == workflow • agent creation == application

  15. Discovery Bus Application Data Authentication Workflow Windows Azure Discovery Bus Agent Installation App API Discovery Bus: Automated QSAR

  16. Other Applications • CARMEN Metadata editor • Excel plugin to save/load data in e-Science Central • Mobile application to transcribe notes • OpenQSAR • authenticate and generate model predictions

  17. Future • More Blocks and languages • Esmeralda (sequential data modelling) • Discovery Bus Agents • Access external data (provenance problems?) • Real time data processing? • Support for more Workflow Engines • Trident, WWF, Taverna? • Collective Intelligence • Find similar people and documents • Algorithms must include security • Provenance • Query and display with security

  18. Demo times • North East Regional e-Science Centre Booth • Today: 12.40 • Thursday: 12.40