Supporting Collaborative Product Design in Industry
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(2) Contents • • • •. SIMDAT Project Overview Pharmaceutical Case Study SIMDAT Grid Solution Portfolio Conclusions. ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(3) IST EU SIMDAT Project (Sep 2004 – Aug 2008). Four sectors of international economic importance: Automotive Pharmaceutical Aerospace Meteorology. Seven Grid-technology development areas: Grid infrastructure Distributed Data Access VO Administration Workflows Ontologies Analysis Services Knowledge Services. ©2006 University of Southampton IT Innovation Centre and other members of the SIMDAT consortium. SIMDAT.
(4) Who are the SIMDAT Partners? End Users. Capability Providers. Grid Technologists. ©2006 University of Southampton IT Innovation Centre and other members of the SIMDAT consortium. SIMDAT.
(5) Demanding Application Drivers • Integration of the product design process chain (CAE/CAD/CAT) including external engineering companies, developers and suppliers • Multi-disciplinary collaborative configuration design of complex aerospace products • Drug discovery environment managing the distribution of both public and commercial bioinformatics data and analysis services • Virtual Global Information System Centre supporting the distribution and integration of large scale meteorology data providers ©2006 University of Southampton IT Innovation Centre and other members of the SIMDAT consortium. SIMDAT.
(6) The Drug Discovery Pipeline • Drug discovery is big business • Top eight spend $30 billion annually on new product R&D (2004) • 20% of the $150 billion of product sales ©2006 GSK Disease Selection Target Family Selection. Commit To Product Type. Gene Function Target Association. Commit To Target. Target To Lead. Lead. Lead To Candidate. Candidate Selection. Candidate Selection To FTIH. FTIH. PoC To Commit to Phase III. FTIH To PoC. PoC. Commit to Phase III. Phase III. File And Launch. Lifecycle Management. Commit to NDA Approval And Launch Launch/ NDA Filing. Post Launch Reivew. ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(7) Challenges for the Drug Discovery Pipeline • The health of a companies pipeline is a key performance measure • Bottlenecks or gaps indicate a potential down turn • Massive advances in technology and biological information has not translated into more drugs – too much information – only just beginning to understand how to process information meaningfully • Companies are adopting new approaches and technologies for information processing – distribution, integration, discovery, analysis, visualisation, annotation and validation ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(8) Powering the Pipeline Pharmacogenetics Bioinformatics. Cheminformatics. High Throughput Screening Performance Based Innovation Co-development Partnerships Specialisation Outsourcing ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(9) Powering the Pipeline Pharmacogenetics Bioinformatics. Cheminformatics. High Throughput Screening Performance Based Innovation Co-development Partnerships Specialisation Outsourcing ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(10) Collaborative Drug Discovery Test case • •. •. •. B2B and B2A collaborative drug discovery Focusing on the target identification – data distribution – gene lists – structural domains – functional assignment/druggability Bioinformatics data and analysis capabilities shared between organisations Distributed Bioinformatics workflows and data management over the Internet ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(11) B2B/B2A Partnerships Industrial Service Provider Web Portal. GRIA layer. Internet. Local applications. Academic Service Provider. Academic Consumer Web Portal. GRIA layer. Local applications. ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(12) Characteristics of Business Grids • Customers control which services they consume, how much they are used, and by whom • Service providers operate independently and compete to provide service • Service providers operate within the terms of relevant application software licenses • Services are subject to Service Level Agreements • Security to commercial standards • Heterogeneous infrastructures • Maintenance should be cost-effective ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(13) The SIMDAT Grid Solution Portfolio • The SIMDAT architecture is a framework for delivering interoperable business Grid technologies — today – based on service oriented architecture (SOA) principles and web service specifications – used to build domain-specific Grid solutions – used to communicate SIMDAT ideas, structure and results to application communities within and beyond SIMDAT. ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(14) The SIMDAT Architecture. ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(15) SIMDAT Technologies. IGOR-FS. ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(16) Pharmaceutical Domain Solution. IGOR-FS. ©2007 University of Southampton IT Innovation Centre and other members of the SIMDAT Consortium. SIMDAT.
(17) GRIA: A Grid for business • Open Source Grid middleware for supporting B2B collaborations based on a service-oriented architecture • Easy to use yet powerful functionality – – – – –. business-to-business accounting and service level agreements dynamic trust and security distributed file transfer, storage and processing distributed database access using OGSA-DAI distributed inter-domain workflow composition, enactment and publication using Taverna/Freefluo – cross-platform, running on Windows XP and various Linux distributions – developers kit for new managed application services. • Available free and open source from http://www.gria.org ©2006 University of Southampton IT Innovation Centre.
(18) Operational Scenarios Service Level Agreement. Client Management Project Manager. Service Provider Management Administrator. Access Constraints. Client. Usage Constraints. Basic Application Services. Engineer. Data Storage. Data Processing. Applications. Client Organisation. ©2006 University of Southampton IT Innovation Centre. Service Provider.
(19) Operational Scenarios Service Level Agreement. Client Management Project Manager. Service Provider Management Administrator. I want to use high-end applications, but I don’t have enough processing power. Access Constraints. Client. Usage Constraints. Basic Application Services. Engineer. Data Storage. Data Processing. Applications. Client Organisation. ©2006 University of Southampton IT Innovation Centre. Service Provider.
(20) Operational Scenarios Service Level Agreement. Client Management Project Manager. I want to provide applications and data services and specify terms and conditions for using them. Service Provider Management Administrator. Access Constraints. Client. Usage Constraints. Basic Application Services. Engineer. Data Storage. Data Processing. Applications. Client Organisation. ©2006 University of Southampton IT Innovation Centre. Service Provider.
(21) I want to manage my organisation’s relationships, and decide who in my team (and partners teams) can access my resources. Operational Scenarios Service Level Agreement. Client Management Project Manager. Service Provider Management Administrator. Access Constraints. Client. Usage Constraints. Basic Application Services. Engineer. Data Storage. Data Processing. Applications. Client Organisation. ©2006 University of Southampton IT Innovation Centre. Service Provider.
(22) Managing Relationships Client Organisation A. Service Provider A Project A. Trade Acc 1 Trade Acc 2. Project Manager A. Project Manager B. Client Mgmt Service. Trade Account Service. Project B. Trade Acc 3. Project C. Trade Acc 4. Project D Client Mgmt Service. Administrator A. Administrator B Trade Account Service. Service Provider B. Client Organisation B ©2006 University of Southampton IT Innovation Centre.
(23) Application Service Management Trade Account Service. Propose SLA. Capacity. SLA Management Service. SLA Templates. Notify Usage Reports. Client Management. Check SLA. Project Manager. Client. Administrator. Manage Applications. Basic Application Services. OGSA-DAI Service. Bespoke Application Service. Engineer ©2006 University of Southampton IT Innovation Centre.
(24) Application Service Management Trade Account Service. Propose SLA. SLA Management Service. Check SLA. Client Engineer. SLA Templates. Administrator. Notify Usage Reports. Client Management Project Manager. Capacity. Basic Application Services. Manage Applications I generate usage metrics (CPU time, number of active Bespoke OGSA-DAIapplication license, Application number of jobs, Service Service transaction time, data storage, etc). ©2006 University of Southampton IT Innovation Centre.
(25) Application Service Management I define my overall capacity model and SLA templates using metric constraints plus pricing terms. Trade Account Service. Propose SLA. Capacity. SLA Management Service. SLA Templates. Notify Usage Reports. Client Management. Check SLA. Project Manager. Client. Administrator. Manage Applications. Basic Application Services. OGSA-DAI Service. Bespoke Application Service. Engineer ©2006 University of Southampton IT Innovation Centre.
(26) Application Service Management I record and constrain metric usage against SLA terms and service provider capacity. Propose SLA. Trade Account Service. Capacity. SLA Management Service. SLA Templates. Notify Usage Reports. Client Management. Check SLA. Project Manager. Client. Administrator. Manage Applications. Basic Application Services. OGSA-DAI Service. Bespoke Application Service. Engineer ©2006 University of Southampton IT Innovation Centre.
(27) Conclusions • SIMDAT is delivering business Grid middleware for interenterprise collaboration...today • The Grid solution portfolio developments are driven by industrial requirements • GRIA middleware satisfies the core requirements for relationships management – dynamic trust and security using commercial bestpractice – SLA based monitoring, management and billing – accounting • Key technologies are undergoing accreditation procedures by industrial partners ©2006 University of Southampton IT Innovation Centre and other members of the SIMDAT consortium. SIMDAT.
(28) For more information • www.simdat.eu • www.gria.org. ©2006 University of Southampton IT Innovation Centre and other members of the SIMDAT consortium. SIMDAT.
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