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Bridging the Gap Between
Research and IT
                               22 June 2010
      Conrad Agramont – Product Management
           Andrew Leuthe – Product Marketing
Productivity Continuum




                         Self
                        Service
                                      Captured
                                     Knowledge                                  Integration
                                                                                SharePoint
                                                 Reusability   Collaboration   Management
                                                                                Scalability
                                   Process
                    Data          Verification
                  Discovery




                Personal Productivity                   Workgroup              Enterprise



             • Consistency
             • Security



© 2009 Accelrys, Inc.                                                                         3
Today’s Research Challenge


                                                                     Companies with effective
                                                                     product innovation
                                       More innovation
                                                                     processes grow at three
                                       Increase R&D success rate     times the pace of those
               Drive Top               Re-user corporate knowledge   without (Source: PRTM
              Line Growth              Improve data modeling and     Product Development
                                       simulations                   Database).
                                       Increase time available for
                                       experiments



                                           Reduce redundant experiments   Only 11% of R&D
                                           Increase productivity          activities are
                                                                          related to
                                           Increase R&D efficiency
                                                                          innovation
                                           Improve business processes     (Source: R&D
                        Reduce Costs       Automate key tasks             Productivity
                                                                          Analysis, Yazdani,
                                                                          Holmes, A.D. Little)



© 2009 Accelrys, Inc.                                                                      4
IT Strategic Priorities




© 2009 Accelrys, Inc.     5
The Researcher’s Challenge




                        Innovation
© 2009 Accelrys, Inc.                6
Pipeline Pilot Maturity Model


           Enterprise
           Data Integration
           Visualization
           Automation
           Collaboration
           Application Development & Deployment
           Deployment of Best Practices

           Work Group
           Data Integration
           Visualization
           Automation
           Collaboration


           Personal Productivity
           Data Integration
           Visualization
           Automation




© 2009 Accelrys, Inc.                             7
Productivity Continuum




                         Self
                        Service
                                      Captured
                                     Knowledge                                  Integration
                                                                                SharePoint
                                                 Reusability   Collaboration   Management
                                                                                Scalability
                                   Process
                    Data          Verification
                  Discovery




                Personal Productivity                   Workgroup              Enterprise



             • Consistency
             • Security



© 2009 Accelrys, Inc.                                                                         9
Personal Productivity




© 2009 Accelrys, Inc.           10
Personal Productivity Challenges


                   Lack of Developer Expertise


                                                  Application Integration

                        Code/Script Reusability

                                                              Data Access




                                                       Personal Productivity



© 2009 Accelrys, Inc.                                                          11
Pipeline Pilot: Protocols
• A highly efficient, flexible paradigm for data processing
• Pipelines guide the flow of data through a series of modular components
• Pipelines can perform:
   – Highly computational, batch processing tasks (millions of data rows)
   – Short-running integration and reporting tasks


                                             Data


                            Components                   Process




                                           Protocol




© 2009 Accelrys, Inc.                                                       12
Information Discovery & Access



                        Vendor     Corporate         Public




                                                         Files
        SOAP            WSDL     REST    ODBC/JDBC                  SharePoint
                                                      (Local/UNC)



                   Web Services                Data Sources

                                 Pipeline Pilot
© 2009 Accelrys, Inc.                                                            13
Workgroup




© 2009 Accelrys, Inc.   14
Workgroup Enablement


                                       Project
                                       Leader




                        Scientist   Workgroup     Developer




                                      Scientist




© 2009 Accelrys, Inc.                                         15
Workgroup Challenges


                        Varied Expertise

                                             Global Resources
                 Academic/Contracting
                                                      Data Management

                                     Collaboration



                                                     Workgroup
                                                     Productivity

© 2009 Accelrys, Inc.                                                   16
Pipeline Pilot Clients and User-types
         Pipeline Pilot Professional Client

               • Create and edit protocols
               • Execute protocols
               • Deploy / share protocols
               • Develop Pipeline Pilot-based
                 web applications




          Pipeline Pilot Web Clients: Execute protocols, review results
              Accelrys Web Port      Accelrys Custom Web Client   Microsoft SharePoint




© 2009 Accelrys, Inc.                                                                    17
Broad Domain Capabilities of Pipeline Pilot


        Chemistry / Chemical Sciences                Biological Sciences



                        Scientific Reporting   Data and Application Integration



                          Image Analysis        Statistics and Data Modeling



        Document Search and Analysis            Analytical / Lab Data Analysis




                Many tasks require working across domain boundaries

© 2009 Accelrys, Inc.                                                             18
Enterprise




© 2009 Accelrys, Inc.   19
Enterprise Enablement


                                      Workgroup




                        Workgroup
                                    Enterprise     Application
                                                  Development
                                        IT


                                       Support
                                       Services




© 2009 Accelrys, Inc.                                            20
Enterprise IT Challenges


      Increased Business Requirements

                                               Budget Constraints
                Resource Availability

                                                       Data Management

                               Collaboration




                                                    Business Delivery


© 2009 Accelrys, Inc.                                                    21
Pipeline Pilot
- Scientific Informatics Platform
                             Scientist                                  Biz Analyst

                                                   Engineer                         Management



                        Portal                                           Accelrys Apps


                                                          Reporting & Analytics




                                                                                                          3rd Party Applications
                                                         Image                                3rd Party
                                 Text Mining                               Data Mining
                                                        Analysis                             Algorithms

                                 Chemistry               Biology             Materials      Engineering


                                                   Data Transformation & Modeling


                                                        Complex Data Integration




                                         Numeric              Chemical Structures            Text




                                 Biological Sequences           Corporate Data               Image
© 2009 Accelrys, Inc.                                                                                                              22
Pipeline Pilot SharePoint Bridge


• Pipeline Pilot provides
  the science
• SharePoint provides the
  place to get it
• Together they provide a
  scientific collaboration
  and decision-support
  site




© 2009 Accelrys, Inc.              23
Example SharePoint site




                          Shared Documents
                          Web Part




                             Pipeline Pilot
                             Web Parts




© 2009 Accelrys, Inc.                         24
Consistency

• Validation
• Versioning
• Regression Testing
• Data Sources
• Role-based Security




© 2009 Accelrys, Inc.   25
Web Services Integration
                        Example




© 2009 Accelrys, Inc.              26
Publish Protocol as a Web Service




© 2009 Accelrys, Inc.               27
WSDL Endpoint



                        WSDL Endpoint




© 2009 Accelrys, Inc.               28
Visual Studio 2010 (1)




© 2009 Accelrys, Inc.    29
Visual Studio 2010 (2)




© 2009 Accelrys, Inc.    30
Consuming Web Services




© 2009 Accelrys, Inc.    31
Robust Developer Support

                              Pre-deployment                                Deployment
   Develop                        Testing
     Test
   Check in

                                                                                                      Users
                                                     Test Server
                                                 Export
    Pipeline Pilot
    Designer
    “Scientist”
                        Check out/in                           Export

                                                                                                      Users
                                       Centralized       Backup
                                       Version Control,
                                       Can be any system
 Java Developer                                                                          Production
                                                                                         Server


Developer Support:                                        Benefits:

• Visual Studio/.NET Framework                            • Robust Developer Support
• Java/Eclipse                                            • Structure Team Development for Applications
• Web Services Description Language                       • Deployment and Change Management Controls

© 2009 Accelrys, Inc.                                                                                    32
Scalability - Platform


                                  • Single Server
                         Server   • Windows or Linux




                                      • Multi-Server
                           Cluster    • Linux




                                  • Sun Grid Engine
                          Grid    • HP MPI
                                  • Linux



© 2009 Accelrys, Inc.                                  33
Productivity Continuum




                         Self
                        Service
                                      Captured
                                     Knowledge                                  Integration
                                                                                SharePoint
                                                 Reusability   Collaboration   Management
                                                                                Scalability
                                   Process
                    Data          Verification
                  Discovery




                Personal Productivity                   Workgroup              Enterprise



             • Consistency
             • Security



© 2009 Accelrys, Inc.                                                                         34
Thank You

• Accelrys will be holding additional IT focused webinars.
  Please check back often and register at
   – http://accelrys.com/events/webinars/
• Please visit our Pipeline Pilot Enterprise Page at:
   – http://www.accelrys.com/products/pipeline-pilot
• Pfizer / Microsoft SharePoint / Accelrys Customer Story:
   – http://www.microsoft.com/casestudies/Case_Study_Deta
     il.aspx?CaseStudyID=4000006721
• For additional information, we encourage you to contact us
  at:
   – Andy Leuthe: aleuthe@accelrys.com
   – Conrad Agramont: cagramont@accelrys.com



© 2009 Accelrys, Inc.                                          35

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Bridging the gap between research and it

  • 1. Bridging the Gap Between Research and IT 22 June 2010 Conrad Agramont – Product Management Andrew Leuthe – Product Marketing
  • 2. Productivity Continuum Self Service Captured Knowledge Integration SharePoint Reusability Collaboration Management Scalability Process Data Verification Discovery Personal Productivity Workgroup Enterprise • Consistency • Security © 2009 Accelrys, Inc. 3
  • 3. Today’s Research Challenge Companies with effective product innovation More innovation processes grow at three Increase R&D success rate times the pace of those Drive Top Re-user corporate knowledge without (Source: PRTM Line Growth Improve data modeling and Product Development simulations Database). Increase time available for experiments Reduce redundant experiments Only 11% of R&D Increase productivity activities are related to Increase R&D efficiency innovation Improve business processes (Source: R&D Reduce Costs Automate key tasks Productivity Analysis, Yazdani, Holmes, A.D. Little) © 2009 Accelrys, Inc. 4
  • 4. IT Strategic Priorities © 2009 Accelrys, Inc. 5
  • 5. The Researcher’s Challenge Innovation © 2009 Accelrys, Inc. 6
  • 6. Pipeline Pilot Maturity Model Enterprise Data Integration Visualization Automation Collaboration Application Development & Deployment Deployment of Best Practices Work Group Data Integration Visualization Automation Collaboration Personal Productivity Data Integration Visualization Automation © 2009 Accelrys, Inc. 7
  • 7. Productivity Continuum Self Service Captured Knowledge Integration SharePoint Reusability Collaboration Management Scalability Process Data Verification Discovery Personal Productivity Workgroup Enterprise • Consistency • Security © 2009 Accelrys, Inc. 9
  • 8. Personal Productivity © 2009 Accelrys, Inc. 10
  • 9. Personal Productivity Challenges Lack of Developer Expertise Application Integration Code/Script Reusability Data Access Personal Productivity © 2009 Accelrys, Inc. 11
  • 10. Pipeline Pilot: Protocols • A highly efficient, flexible paradigm for data processing • Pipelines guide the flow of data through a series of modular components • Pipelines can perform: – Highly computational, batch processing tasks (millions of data rows) – Short-running integration and reporting tasks Data Components Process Protocol © 2009 Accelrys, Inc. 12
  • 11. Information Discovery & Access Vendor Corporate Public Files SOAP WSDL REST ODBC/JDBC SharePoint (Local/UNC) Web Services Data Sources Pipeline Pilot © 2009 Accelrys, Inc. 13
  • 13. Workgroup Enablement Project Leader Scientist Workgroup Developer Scientist © 2009 Accelrys, Inc. 15
  • 14. Workgroup Challenges Varied Expertise Global Resources Academic/Contracting Data Management Collaboration Workgroup Productivity © 2009 Accelrys, Inc. 16
  • 15. Pipeline Pilot Clients and User-types Pipeline Pilot Professional Client • Create and edit protocols • Execute protocols • Deploy / share protocols • Develop Pipeline Pilot-based web applications Pipeline Pilot Web Clients: Execute protocols, review results Accelrys Web Port Accelrys Custom Web Client Microsoft SharePoint © 2009 Accelrys, Inc. 17
  • 16. Broad Domain Capabilities of Pipeline Pilot Chemistry / Chemical Sciences Biological Sciences Scientific Reporting Data and Application Integration Image Analysis Statistics and Data Modeling Document Search and Analysis Analytical / Lab Data Analysis Many tasks require working across domain boundaries © 2009 Accelrys, Inc. 18
  • 18. Enterprise Enablement Workgroup Workgroup Enterprise Application Development IT Support Services © 2009 Accelrys, Inc. 20
  • 19. Enterprise IT Challenges Increased Business Requirements Budget Constraints Resource Availability Data Management Collaboration Business Delivery © 2009 Accelrys, Inc. 21
  • 20. Pipeline Pilot - Scientific Informatics Platform Scientist Biz Analyst Engineer Management Portal Accelrys Apps Reporting & Analytics 3rd Party Applications Image 3rd Party Text Mining Data Mining Analysis Algorithms Chemistry Biology Materials Engineering Data Transformation & Modeling Complex Data Integration Numeric Chemical Structures Text Biological Sequences Corporate Data Image © 2009 Accelrys, Inc. 22
  • 21. Pipeline Pilot SharePoint Bridge • Pipeline Pilot provides the science • SharePoint provides the place to get it • Together they provide a scientific collaboration and decision-support site © 2009 Accelrys, Inc. 23
  • 22. Example SharePoint site Shared Documents Web Part Pipeline Pilot Web Parts © 2009 Accelrys, Inc. 24
  • 23. Consistency • Validation • Versioning • Regression Testing • Data Sources • Role-based Security © 2009 Accelrys, Inc. 25
  • 24. Web Services Integration Example © 2009 Accelrys, Inc. 26
  • 25. Publish Protocol as a Web Service © 2009 Accelrys, Inc. 27
  • 26. WSDL Endpoint WSDL Endpoint © 2009 Accelrys, Inc. 28
  • 27. Visual Studio 2010 (1) © 2009 Accelrys, Inc. 29
  • 28. Visual Studio 2010 (2) © 2009 Accelrys, Inc. 30
  • 29. Consuming Web Services © 2009 Accelrys, Inc. 31
  • 30. Robust Developer Support Pre-deployment Deployment Develop Testing Test Check in Users Test Server Export Pipeline Pilot Designer “Scientist” Check out/in Export Users Centralized Backup Version Control, Can be any system Java Developer Production Server Developer Support: Benefits: • Visual Studio/.NET Framework • Robust Developer Support • Java/Eclipse • Structure Team Development for Applications • Web Services Description Language • Deployment and Change Management Controls © 2009 Accelrys, Inc. 32
  • 31. Scalability - Platform • Single Server Server • Windows or Linux • Multi-Server Cluster • Linux • Sun Grid Engine Grid • HP MPI • Linux © 2009 Accelrys, Inc. 33
  • 32. Productivity Continuum Self Service Captured Knowledge Integration SharePoint Reusability Collaboration Management Scalability Process Data Verification Discovery Personal Productivity Workgroup Enterprise • Consistency • Security © 2009 Accelrys, Inc. 34
  • 33. Thank You • Accelrys will be holding additional IT focused webinars. Please check back often and register at – http://accelrys.com/events/webinars/ • Please visit our Pipeline Pilot Enterprise Page at: – http://www.accelrys.com/products/pipeline-pilot • Pfizer / Microsoft SharePoint / Accelrys Customer Story: – http://www.microsoft.com/casestudies/Case_Study_Deta il.aspx?CaseStudyID=4000006721 • For additional information, we encourage you to contact us at: – Andy Leuthe: aleuthe@accelrys.com – Conrad Agramont: cagramont@accelrys.com © 2009 Accelrys, Inc. 35