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Accelrys Announces Experiment 
Accelrys Announces Experiment
Knowledge Base (EKB) for 
Enterprise Lab Management
Enterprise Lab Management



Ted Pawela
Sr. Director, Product Marketing
ted.pawela@accelrys.com
Agenda: The New Experiment Knowledge Base Solution


 • Enterprise Laboratory Management:  Pillar of Accelrys’ Enterprise 
   R&D Architecture

 • Accelrys Experiment Knowledge Base (EKB):  A New Solution for 
   Enterprise Laboratory Management

 • The Problem:  Complex laboratory environment blocks innovation

 • Solution Overview:  EKB transforms scientific data into knowledge

 • The Benefits: Laboratory Efficiency Knowledge Capture & Reuse
   The Benefits:  Laboratory Efficiency, Knowledge Capture & Reuse

 • Target Markets/Customers:  Chemicals, Manufacturing, & Materials

 • Conclusion
Enterprise Laboratory Management
A Pillar  of the Accelrys Enterprise R&D Architecture


      Modeling and                    Enterprise Lab         Data Management              Workflow Definition             3rd Party, Partner
       Simulation                      Management             and Informatics                and Capture                     & ISV Apps




   Discovery   Materials        LEA                         Isentris   Registration            Pipeline Pilot
                                          ELN
    Studio      Studio                             EKB



                                                Pipeline Pilot Enterprise Platform
                     Scientific and Generic Services                                            Data Management Services


         Work
         Work                                Experiment
                                             Experiment     Instrument
                                                             Instrument
                            Reports
                            Reports
        Request
        Request                               Workflow
                                              Workflow       Interfaces
                                                              Interfaces


                                                                                                                      Notebook
                                                                                      ORACLE             LEA                             Biology
                                                                                                                        Vault
      Experiment
      Experiment                               Virtual      Data Mining
                           Scheduling
                           Scheduling
        Design
        Design                                Chemistry     & Analytics


                                                                                               LIMS             Recipes          Other
        Modeling
                            Biology          Registration    Imaging
      & Simulation                                                         …
Delivering Core Services for Experimentation

 • Manages standard lab operations
    – Flow of materials, samples, 
       requests & tasks, scheduling..
                 & k       h d li
 • Built on Pipeline Pilot
 • Shared across applications
   Shared across applications
    – Provides both web user 
       interface and thick‐client 
       plug‐ins 
       plug ins
 • Scalable across the enterprise
    – Within the lab, between 
       departments & across 
       business boundaries
 • Delivered in ELM Solutions
   Delivered in ELM Solutions
Applications Layer: Solutions built on ELM


• Persona‐based interfaces to accommodate 
  all scientific personnel
   – Electronic Laboratory Notebook
   – Lab Execution & Analysis 
   – Experiment Knowledge Base
       Experiment Knowledge Base
   – More…
• Thick & thin clients using same scientific 
  services
• Compatibility with future laboratory 
  informatics solutions
   – All Accelrys products and services that 
       integrate with the lab will be delivered 
       in the Accelrys ELM
       in the Accelrys ELM
Announcing Experiment Knowledge Base (EKB) :
Packaged Professional Services Solution for ELM

• Complex laboratory environment prevents effective use of data and 
  information  creating inefficiency and blocking innovation
  information – creating inefficiency and blocking innovation

• EKB helps customers to intelligently plan, execute, analyze, and 
  manage experiments related to the development of materials.
                         l d       h d l              f         l

• EKB accelerates materials innovation by improving laboratory
  EKB accelerates materials innovation by improving laboratory 
  efficiency and unlocking the value from experimental data 

• EKB i
  EKB integrates with existing lab systems to protect legacy investments
                  ih i i l b                          l      i
Accelrys Experiment Knowledge Base:  
Enabling  Laboratory Sustainability
                                                       Experiment                Analytical
                                                       Planning &                Methods
• Packaged Professional Services                         Design

  Solution for Enterprise Laboratory                       Steps
  Management                                                          Work
                                                                    Request &
• Based on Pipeline Pilot and ELM                                   Scheduling

• Adds important “Scientific
  Adds  important  Scientific
  Services” created by Accelrys 
  Professional Services                                  Equipment
                                                                                 Materials &
                                                                                  Samples
                                                                                      p
• Preconfigured user interface for 
  materials application domains          Laboratory 
                                          Software
  (catalysis, polymers, biology, etc.)                       LIMS      CDS   SDMS     Reporting   Visualization




                                         Instruments

                                                             HPLC      NMR   GCMS      LCMS       FT‐IR




    EKB helps customers to intelligently plan, execute, analyze, and 
    manage experiments related to the development of materials.
The Problem:  Laboratory Complexity Slows Innovation

                   Today’s S
                        ’ Scientific Lab A Diverse Information Ecosystem
                                 f


       Labs
                         Formulation
                         F    l ti                   Process                 Analytical
                                                                             A l i l                    Contract



  Groups / Teams
                    Method dev.        Method  Val
                                       Method Val              Execution              QA/QC           Lab  Manager
                                                                                                               g




    Processes

                      Synthesis            Biology              Analytical                Process         Formulation



    Laboratory 
    Laboratory
     Software
                          LIMS                CDS                 SDMS                    Reporting        Visualization


   Instruments
                           HPLC                NMR                 GCMS                    LCMS             FT‐IR
The Problem:  Scientific Data Silos Lock Out Knowledge

• Explosion of experimental data
• Limited or no re‐use of data
• No single source for search, analysis, or 
  reporting
• No consistency in experiment planning & 
  execution
• Existing systems don’t allow scientists to 
  extract knowledge from data
    • What experiments have already been 
      run?
    • What experiments should be run next?      Laboratory 
                                                 aboratory

• Creating Big Business Pain:                    Software
                                                              LIMS   CDS   SDMS   Reporting   Visualization



   • Experiments are repeated
                                                Instruments
   • Time & money is lost
                y                                             HPLC   NMR   GCMS   LCMS        FT‐IR
                                                                                              FT IR




   • Environmental impact (energy, waste)
EKB Manages the Experimentation Process

        • Planning – Ad‐hoc or statistically designed experiments to 
          ensure that the experiments can be correlated with other 
          similar experiments
           i il        i
        • Execution – tracks the step‐by‐step workflow of experiments, 
          gathers data produced from instrument files, spreadsheets, 
          databases to eliminate manual piecing together of data.

        • Analysis algorithms for ad hoc analysis of experimental data
          Analysis – algorithms for ad‐hoc analysis of experimental data

        • Reporting – Configurable report templates with integrated 
            p      g         g         p         p              g
          charting, scatter plots and interactive reporting options

        • Mi i
          Mining and Knowledge Generation – t
                    dK    l d G        ti    to provide statistical 
                                                    id t ti ti l
          guidance on what experiments should be performed next.
Transforming Data Silos into Actionable Knowledge

                            Ad‐hoc Query & Reporting                    Standard Reports
• Imports/accesses           Query Builder                          Project 
                                                                    Report        Job Report
                                                                                               Experiment 
                                                                                                 Report
  scientific data from                  Query Visualizer
                                                                    Site Report         Managemen

  disparate sources                                                                      t Report




• Organizes Existing 
  Data
  D t

• Enables Standard &                        EKB Data 
  Ad‐hoc Data Queries
  Ad‐hoc Data Queries                         Mart


• Enables Mining of               Extract, Transform, Load (ETL)
  Existing Data
  Existing Data

• Automates Standard       Laboratory 
                            Software
  Data Operations (e.g.                         LIMS       CDS     SDMS            Reporting        Visualization

  Reporting)
                           Instruments
                                                 HPLC      NMR     GCMS               LCMS               FT‐IR
To Inform & Guide Future Experimentation

                             Experiment Design &            Ad‐hoc Query & Reporting
• Guides experiment               Execution
                                                            Query Builder
  setup, both ad‐hoc &                     ddd                              Query Visualizer
                                                                                                    Standard Reports

  structured                                                                             Project 
                                                                                         P j t
                                                                                         Report
                                                                                                     Job        Experime
                                                                                                                nt Report
                                                 Validate                                           Report
                                                                                           Site         Manageme
                                                                                          Report          nt Report


• Ensures Consistent 
  Experiment Execution
       i            i

                                                    EKB Data 
• Enables laboratory                                  Mart
  operations and tracks 
  experiment status                      Extract, Transform, Load (ETL)


• Enables Design of 
                           Laboratory 
  Experiments               Software
                                                                                       Reporting
                                                 LIMS         CDS           SDMS                          Visualization


                           Instruments
                                                    HPLC      NMR            GCMS           LCMS                FT‐IR
Accelrys EKB Empowers Breakthrough Innovation


                                         Enable scientists to invent 
                     Accelerate           step out products more 
                                          step‐out products more
                The Innovation Cycle     quickly, improving time‐to‐
                                                    market


                                        Build a corporate knowledge 
                    More Value         base that can be searched and 
                    From Data             data mined streamlining 
                                        supply chain, reformulations


                                        Scientists can find and learn 
                                        Scientists can find and learn
                   Reduce costs            from past experiments 
                  less repetition        instead of repeating them 
                                            saving time and cost
Benefitting Materials R&D




                                            Chemicals   CPG      Agro         Petro     Manufacturing
                   Market 




                                                               Chemicals    Chemicals
       ry Vertical M




                             Formulations
         Segments




                             Catalysis
                             Polymers
 Industr




                             Other
                                              Functional Horizontal Market Segments



For Economically and Environmentally Sustainable Laboratory Operations
Summary

EKB enables customers to develop 
better materials more quickly with 
fewer resources
fewer resources
                                        Research
              Compliance
                   +                  Development
     Lab Efficiency & Productivity
                   +
        Innovation in Products
        I       i i P d
                                      Manufacturing
                  =

         Sustainable Science
        Sustainable Business 
CONTACT INFORMATION: 
           Ted Pawela
           Ted Pawela
Sr. Director, Product Marketing
   Ted.pawela@accelrys.com
   T d       l @     l

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Accelrys Announces Experiment Knowledge Base (EKB) for Enterprise Lab Management

  • 1. Accelrys Announces Experiment  Accelrys Announces Experiment Knowledge Base (EKB) for  Enterprise Lab Management Enterprise Lab Management Ted Pawela Sr. Director, Product Marketing ted.pawela@accelrys.com
  • 2. Agenda: The New Experiment Knowledge Base Solution • Enterprise Laboratory Management:  Pillar of Accelrys’ Enterprise  R&D Architecture • Accelrys Experiment Knowledge Base (EKB):  A New Solution for  Enterprise Laboratory Management • The Problem:  Complex laboratory environment blocks innovation • Solution Overview:  EKB transforms scientific data into knowledge • The Benefits: Laboratory Efficiency Knowledge Capture & Reuse The Benefits:  Laboratory Efficiency, Knowledge Capture & Reuse • Target Markets/Customers:  Chemicals, Manufacturing, & Materials • Conclusion
  • 3. Enterprise Laboratory Management A Pillar  of the Accelrys Enterprise R&D Architecture Modeling and Enterprise Lab Data Management Workflow Definition 3rd Party, Partner Simulation Management and Informatics and Capture & ISV Apps Discovery Materials LEA Isentris Registration Pipeline Pilot ELN Studio Studio EKB Pipeline Pilot Enterprise Platform Scientific and Generic Services Data Management Services Work Work Experiment Experiment Instrument Instrument Reports Reports Request Request Workflow Workflow Interfaces Interfaces Notebook ORACLE LEA Biology Vault Experiment Experiment Virtual Data Mining Scheduling Scheduling Design Design Chemistry & Analytics LIMS Recipes Other Modeling Biology Registration Imaging & Simulation …
  • 4. Delivering Core Services for Experimentation • Manages standard lab operations – Flow of materials, samples,  requests & tasks, scheduling.. & k h d li • Built on Pipeline Pilot • Shared across applications Shared across applications – Provides both web user  interface and thick‐client  plug‐ins  plug ins • Scalable across the enterprise – Within the lab, between  departments & across  business boundaries • Delivered in ELM Solutions Delivered in ELM Solutions
  • 5. Applications Layer: Solutions built on ELM • Persona‐based interfaces to accommodate  all scientific personnel – Electronic Laboratory Notebook – Lab Execution & Analysis  – Experiment Knowledge Base Experiment Knowledge Base – More… • Thick & thin clients using same scientific  services • Compatibility with future laboratory  informatics solutions – All Accelrys products and services that  integrate with the lab will be delivered  in the Accelrys ELM in the Accelrys ELM
  • 6. Announcing Experiment Knowledge Base (EKB) : Packaged Professional Services Solution for ELM • Complex laboratory environment prevents effective use of data and  information  creating inefficiency and blocking innovation information – creating inefficiency and blocking innovation • EKB helps customers to intelligently plan, execute, analyze, and  manage experiments related to the development of materials. l d h d l f l • EKB accelerates materials innovation by improving laboratory EKB accelerates materials innovation by improving laboratory  efficiency and unlocking the value from experimental data  • EKB i EKB integrates with existing lab systems to protect legacy investments ih i i l b l i
  • 7. Accelrys Experiment Knowledge Base:   Enabling  Laboratory Sustainability Experiment Analytical Planning & Methods • Packaged Professional Services  Design Solution for Enterprise Laboratory Steps Management Work Request & • Based on Pipeline Pilot and ELM Scheduling • Adds important “Scientific Adds  important  Scientific Services” created by Accelrys  Professional Services Equipment Materials & Samples p • Preconfigured user interface for  materials application domains  Laboratory  Software (catalysis, polymers, biology, etc.) LIMS CDS SDMS Reporting Visualization Instruments HPLC NMR GCMS LCMS FT‐IR EKB helps customers to intelligently plan, execute, analyze, and  manage experiments related to the development of materials.
  • 8. The Problem:  Laboratory Complexity Slows Innovation Today’s S ’ Scientific Lab A Diverse Information Ecosystem f Labs Formulation F l ti Process Analytical A l i l Contract Groups / Teams Method dev. Method  Val Method Val Execution QA/QC Lab  Manager g Processes Synthesis  Biology Analytical Process Formulation Laboratory  Laboratory Software LIMS CDS SDMS Reporting Visualization Instruments HPLC NMR GCMS LCMS FT‐IR
  • 9. The Problem:  Scientific Data Silos Lock Out Knowledge • Explosion of experimental data • Limited or no re‐use of data • No single source for search, analysis, or  reporting • No consistency in experiment planning &  execution • Existing systems don’t allow scientists to  extract knowledge from data • What experiments have already been  run? • What experiments should be run next? Laboratory  aboratory • Creating Big Business Pain: Software LIMS CDS SDMS Reporting Visualization • Experiments are repeated Instruments • Time & money is lost y HPLC NMR GCMS LCMS FT‐IR FT IR • Environmental impact (energy, waste)
  • 10. EKB Manages the Experimentation Process • Planning – Ad‐hoc or statistically designed experiments to  ensure that the experiments can be correlated with other  similar experiments i il i • Execution – tracks the step‐by‐step workflow of experiments,  gathers data produced from instrument files, spreadsheets,  databases to eliminate manual piecing together of data. • Analysis algorithms for ad hoc analysis of experimental data Analysis – algorithms for ad‐hoc analysis of experimental data • Reporting – Configurable report templates with integrated  p g g p p g charting, scatter plots and interactive reporting options • Mi i Mining and Knowledge Generation – t dK l d G ti to provide statistical  id t ti ti l guidance on what experiments should be performed next.
  • 11. Transforming Data Silos into Actionable Knowledge Ad‐hoc Query & Reporting Standard Reports • Imports/accesses  Query Builder Project  Report Job Report Experiment  Report scientific data from  Query Visualizer Site Report Managemen disparate sources t Report • Organizes Existing  Data D t • Enables Standard &  EKB Data  Ad‐hoc Data Queries Ad‐hoc Data Queries Mart • Enables Mining of  Extract, Transform, Load (ETL) Existing Data Existing Data • Automates Standard  Laboratory  Software Data Operations (e.g.  LIMS CDS SDMS Reporting Visualization Reporting) Instruments HPLC NMR GCMS LCMS FT‐IR
  • 12. To Inform & Guide Future Experimentation Experiment Design &  Ad‐hoc Query & Reporting • Guides experiment  Execution Query Builder setup, both ad‐hoc &  ddd Query Visualizer Standard Reports structured Project  P j t Report Job  Experime nt Report Validate Report Site  Manageme Report nt Report • Ensures Consistent  Experiment Execution i i EKB Data  • Enables laboratory  Mart operations and tracks  experiment status Extract, Transform, Load (ETL) • Enables Design of  Laboratory  Experiments Software Reporting LIMS CDS SDMS Visualization Instruments HPLC NMR GCMS LCMS FT‐IR
  • 13. Accelrys EKB Empowers Breakthrough Innovation Enable scientists to invent  Accelerate step out products more  step‐out products more The Innovation Cycle quickly, improving time‐to‐ market Build a corporate knowledge  More Value base that can be searched and  From Data data mined streamlining  supply chain, reformulations Scientists can find and learn  Scientists can find and learn Reduce costs from past experiments  less repetition instead of repeating them  saving time and cost
  • 14. Benefitting Materials R&D Chemicals CPG Agro Petro  Manufacturing Market  Chemicals Chemicals ry Vertical M Formulations Segments Catalysis Polymers Industr Other Functional Horizontal Market Segments For Economically and Environmentally Sustainable Laboratory Operations
  • 15. Summary EKB enables customers to develop  better materials more quickly with  fewer resources fewer resources Research Compliance + Development Lab Efficiency & Productivity + Innovation in Products I i i P d Manufacturing = Sustainable Science Sustainable Business 
  • 16. CONTACT INFORMATION:  Ted Pawela Ted Pawela Sr. Director, Product Marketing Ted.pawela@accelrys.com T d l @ l