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Workflows and applications in e-Science Central. Simon Woodman Hugo Hiden Paul Watson Jacek Cala. Outline. What is e-Science Central? Architecture and Features Workflows and Applications. Background: North East Regional e-Science Centre. 25 Research Projects across many domains: - PowerPoint PPT Presentation
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Workflows and applications ine-Science Central
Simon WoodmanHugo HidenPaul WatsonJacek Cala
Outline
1. What is e-Science Central?2. Architecture and Features3. 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 Networkin
g
e-ScienceCentral
• Dynamic Resource Allocation• Pay-as-you-Go
• Web based• Works anywhere
• 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 Features3. Workflows and Applications
Security
Storage
Workflow
Provenance
Searching
Core Services
Security
Storage
Workflow
Provenance
Searching
Core Services
Connections
Discussion
Groups
Tagging
Blogs
Collaboration Services
Connections
Discussion
Groups
Tagging
Blogs
Collaboration Services
Security
Storage
Workflow
Provenance
Searching
Core Services
QSAR
Chemistry
Modeling
R Scripts
“Scientific” Services
Security
Storage
Workflow
Provenance
Searching
Core Services
QSAR
Chemistry
Modeling
R Scripts
Connections
Discussion
Groups
Tagging
Blogs
Collaboration Services“Scientific” Services
Application
Application
Application
Expansion…
Outline
1. What is e-Science Central?2. Architecture and Features3. Workflow and Applications
Data Supply
Services
Calculation and Third Party Services
Publicationand StorageServices
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
Work
flow
Data
Auth
enti
cati
on
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: 12.40 Thursday: 12.40
