The document describes Accelrys' Symyx Notebook electronic lab notebook (ELN) and how it integrates with Pipeline Pilot and Isentris. The ELN allows scientists to capture data from experiments, while Pipeline Pilot enables analysis, processing and reporting of the data. Isentris provides a way to explore and share knowledge from the ELN. The integrated system allows researchers to capture data, access and analyze it using tools like Pipeline Pilot, and generate reports and share insights using Isentris to improve R&D productivity.

1. Electronic Lab Notebook (ELN)Symyx Notebook by Accelrys and the Enterprise R&D Architecture

2. Symyx Notebook by Accelrys v. 6.6 Highlights

3. Symyx Notebook by Accelrys: Capturing Complex Data forBusiness Insights from Lab to PatientSpreadsheetsChemical StructuresTextAnalytical DataImageELNBiological Information(Sequences/Structures)DevelopmentManufacturingResearch

4. ELN Powered by Accelrys’ Enterprise R&D ArchitectureScientistsR&D ManagerLab ManagerVP, R&DHead of IT &InformaticsManufacturingPlant WorkersEnterprise Lab ManagementWorkflow Definitionand CaptureModeling andSimulationData Managementand Informatics3rd Party, Partner & ISV AppsLEADiscovery StudioMaterials StudioIsentrisRegistrationPipeline PilotELNWebPipeline Pilot™Material ScienceAnalytical InstrumentsBiologyChemistryDocsChemistryORACLEBiology3rd Party VendorsOtherLIMSText & Image AnalyticsStatistics & AnalyticsReporting3rd Party and ISVLaboratory Ops

5. Accelrys Pipeline Pilot: Adds Analytics and Reporting for Improved Business InsightsSpreadsheetsChemical StructuresTextAnalytical DataPipeline Pilot Analysis

6. Processing

7. ReportingImageELNBiological Information(Sequences/Structures)DevelopmentManufacturingResearch

8. Scientists benefit from a rich library of science-specific capabilities available within the ELN designed to accelerate experiment design, analysis, and reporting. Developers deliver faster, higher quality, lower cost extensions in the ELN using the rapid GUI development environment and Pipeline Pilot scientific collections.Benefits of New Pipeline Pilot Integration

9. Enterprise scientific data pipelining platformData Collection and IntegrationAnalysisVisualizationApplication deploymentCapabilitiesIntegration of diverse data and applicationsAutomated scientific data analysis and processingCapture and deployment of best-practice scientific workflowsFeaturesProcessing of molecular, sequence, image, document, text and numeric data typesGraphical building of protocols (scientific workflows)Advanced data mining and visualizationApplication development platformPipeline Pilot Overview

10. Pipeline Pilot — Extensive Collections Enrich Symyx Notebook by Accelrys CapabilitiesChemistryChemistry collectionADME/Tox collectionBiologySequence analysisGene expressionMass spec for proteomicsNext generation sequencingMaterialsSolve crystal structuresSolvent effectsLaboratoryAnalytical instrumentationPlate data analyticsImagingBasic imagingAdvanced imagingModeling and statisticsR-statisticsModeling and advanced modeling

11. A Pipeline Pilot toolkit that provides methods to process, interact with and analyze data from plate based assaysExample: Plate Data Analytics Collection Analysis of Biology, Analytical and Material Properties

12. ELN Empowerment with Pipeline Pilot and CollectionsRapid application developmentLibrary of re-usable scientific productivity componentsScientific applicationsPipeline Pilot clientCustom Pipeline Pilot ProtocolsPipeline Pilot CollectionsPublishDesignDistribute

13. Example Application: Build Dashboards for Chemists, Biologists and Materials ScientistsReporting elements that you can use to build dashboardsPlate Heat MapPlate XY Charts Time SeriesPlate XY Charts Dose ResponsePlate HistogramPlate Bar ChartsPlate XY Charts

14. Examples:Pipeline Pilot Integrations

15. Formulations Design of ExperimentPipeline Pilot returns a list of formulation experiments to the Experiment list (spreadsheet section) and the corresponding formulations are automatically created in the Formulations section

16. Define additional parameters (batch size and unit) to send to Pipeline Pilot for calculation of the design

17. Define materials and amount parameters in the Formulation Materials sectionGreen Chemistry – Process Mass IntensityCalculate planned and actual PMI, instantly providing a sense of the relative greenness of a synthetic step

18. Calculate PMI for both intermediates and products in a multistep synthesis, or only the final product if a one-pot synthesisAnalyze Biology Data in the ELNPipeline Pilot Plate Data Analytics

19. Add Biology Calculations to the ELNPipeline Pilot — add in vivo statistics and analytics

20. Isentris Integration with the Symyx Notebook by Accelrys

21. Accelrys Isentris: Empowering Researchers to Explore and Re-Use Knowledge for Business InsightsSpreadsheetsChemical StructuresTextAnalytical DataPipeline PilotAnalysis

22. Processing

23. ReportingImageELNBiological Information(Sequences/Structures)IsentrisExplore

24. Innovate

25. ReportDevelopmentManufacturingResearch

26. Accelrys Isentris OverviewHighly configurable information exploration and reportingTableDetail formGrid ViewWord, PDF, HTMLPowerPointSharePoint

27. Scientific Applications Delivered on IsentrisCustomers use Isentris for:Lab Analysis & Reporting bridging silos of data

28. Structure Activity Relationships increasing understanding

29. Synthesis Planning less repeated work

30. Corporate Analysis & Reporting increase collaboration increase innovationPaper notebook shortcomings Information is difficult to find, share, reuse, secureELN benefitsUnstructured and structured information is ease to capture, organize, share, search and reuseELNs: More Than a Simple Paper ReplacementELNsRepository

31. Symyx Notebook Isentris Data Source Out-of-the-box access outside the ELNUnparalleled views and insight into the ELNBy Reaction - Show me all experiments that have this reactionBy Document - For each document show me all materials By materials - For each material show me all propertiesBy properties - For each researcher show me all documentsBy text- Show me which documents contain this key wordExtensible to other data sources – integrate LIMS, CDS, registration, inventory, metrology, etc., information into a reportSymyx Notebook by Accelrys v. 6.6 Delivers Data Source for Isentris

32. Isentris Now Delivers Open Box to Notebook Experiment InformationNew insights into notebook experiments:Find and return notebook experimentsSearch and compare information across experimentsCombine and integrate 3rd party information with ELN informationTurning experiment information into corporate insightAccelrys Isentris

33. Example: Scientific PlanningCollaborativeRoute Design in Pharmaceutical DevelopmentLaunch RXN Planner14Evaluate existing route(s) and in-house knowledgeGenerate plans for experimental studies based on prioritized Route ConceptsDynamic Route ExplorationELN R&D ReactionsIn-house IDS2IsentrisIdeas GenerationGenerate new Route Concepts3Symyx NotebookExperiments – ‘real’ RxnsIn-houseDBEvaluate Route Concepts and ideas Vs. known chemistry and available raw materialsDG web servicesELN Templates for Theoretical RXNsRead/WriteExperimentsCommercial RXN DBSymyx NotebookACDRXNsSymyx Notebook‘Theoretical’ Rxns

34. Improved project management: analyze and compare information across experiments to determine actionable throughput, quality and productivity improvementsReduce re-invention and repeat less: improved search tools minimizes missing legacy experimentationReduced experimentation: compare / contrast multiple experiments, learn and improve experiment designImprove compliance and QC: analyze cross experiments looking for trends, deviations and improvements to SOPsImprove innovation and insight:integrate 3rd party information to enrich decision making information Faster reporting: integrate ELN data with 3rd party databases to accelerate reports that include multiple sources of informationBenefits for Scientists

35. Reduced cost of ownership - No need to warehouse and support ETL like other vendorsReduced development – Out-of-the-box application to access information remotely from the NotebookBenefits for Research IT

36. Summary: Accelrys ELN + Isentris + Pipeline PilotCapture, Access, Analyze, Report and ShareSpreadsheetsChemical StructuresTextAnalytical DataPipeline PilotAnalysis

37. Processing

38. ReportingImageELNBiological Information(Sequences/Structures)IsentrisExplore

39. Innovate

40. ReportDevelopmentManufacturingResearch

41. Learn More: accelrys.com/elnLearn what an ELN can do for you: Read case studies

42. Watch videos

43. View webinarswww.accelrys.com/eln