Simon Woodman Hugo Hiden Paul Watson Jacek Cala

Outline 1. What is e-Science Central? 2. Architecture and Features 3. Workflows and Applications

Store Analyse Automate Share 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:

Recent Trends Software as a Service Cloud Computing Social Networking e-Science Central e-Science Central Dynamic Resource Allocation Pay-as-you-Go Web based Works anywhere Web based Works anywhere Controlled Sharing Collaboration Communities Controlled Sharing Collaboration Communities

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

Outline 1. What is e-Science Central? 2. Architecture and Features 3. Workflows and Applications

Security Storage Workflow Provenance Searching Core Services

Connections Discussion Groups Tagging Blogs Collaboration Services

Core Services QSAR Chemistry Modeling R Scripts “Scientific” Services

Core ServicesCollaboration Services “Scientific” ServicesExpansion…

Outline 1. What is e-Science Central? 2. Architecture and Features 3. Workflow and Applications

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

Applications  Utilise e-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

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

API Discovery Bus Application Generate Models and x-valuidate Filter Features Calculate Descriptors Discovery Bus Agent Installation App Workflow Data Authentication Windows Azure Discovery Bus: Automated QSAR

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

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

Demo times  North East Regional e-Science Centre Booth  Today:  Thursday: 12.40