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Today’s complex lab environments inhibit innovation productivity, slowing time-to-market and increasing costs. Improve lab efficiency, knowledge capture and reuse with a solution that quickly transforms scientific data into knowledge. For Chemicals, Manufacturing and Materials companies.
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Accelrys Announces ExperimentAccelrys Announces Experiment Knowledge Base (EKB) for Enterprise Lab ManagementEnterprise Lab Management
Ted PawelaSr. Director, Product [email protected]
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 ManagementA Pillar of the Accelrys Enterprise R&D Architecture
Enterprise Lab Management
Workflow Definitionand Capture
Modeling andSimulation
Data Managementand Informatics
3rd Party, Partner & ISV Apps
Discovery Studio
Materials Studio
Isentris Registration Pipeline PilotLEA ELN EKB
Scientific and Generic Services Data Management Services
Pipeline Pilot Enterprise Platform
BiologyBiologyNotebookNotebookLEALEAORACLEORACLE
ExperimentWorkflow
InstrumentInterfacesReportsWork
RequestExperimentWorkflow
InstrumentInterfacesReportsWork
Request
LIMSLIMS
BiologyBiologyVaultVaultLEALEAORACLEORACLE
SchedulingExperiment Design
Modeling
SchedulingExperiment Design
Virtual Chemistry
Data Mining & Analytics
OtherOtherRecipesRecipes
…Registration ImagingBiologyModeling
& Simulation
Delivering Core Services for Experimentation
• Manages standard lab operations
– Flow of materials, samples, & k h d lirequests & tasks, scheduling..
• Built on Pipeline Pilot
• Shared across applicationsShared across applications
– Provides both web user interface and thick‐client plug insplug‐ins
• Scalable across the enterprise
– Within the lab, between departments & across business boundaries
• Delivered in ELM SolutionsDelivered 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 ELMin 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 innovationinformation creating inefficiency and blocking innovation
• EKB helps customers to intelligently plan, execute, analyze, and l d h d l f lmanage experiments related to the development of materials.
• EKB accelerates materials innovation by improving laboratoryEKB accelerates materials innovation by improving laboratory efficiency and unlocking the value from experimental data
EKB i i h i i l b l i• EKB integrates with existing lab systems to protect legacy investments
Accelrys Experiment Knowledge Base: Enabling Laboratory Sustainability
• Packaged Professional Services Solution for Enterprise Laboratory
AnalyticalMethods
Experiment Planning &
Design
StepsManagement
• Based on Pipeline Pilot and ELM
• Adds important “Scientific
Steps
Work Request & Scheduling
Work Request & Scheduling
• Adds important ScientificServices” created by Accelrys Professional Services Materials &
SamplesEquipment
• Preconfigured user interface for materials application domains (catalysis, polymers, biology, etc.)
Laboratory Software
SDMS ReportingCDSLIMS Visualization
p
Instruments
GCMS LCMSNMRHPLC 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
’ S f
LabsF l ti A l i l
Today’s Scientific Lab A Diverse Information Ecosystem
Formulation Process Analytical Contract
Groups / TeamsMethod dev. QA/QCMethod Val Lab ManagerExecution QA/QCMethod Val gExecution
Processes
Laboratory
FormulationSynthesis ProcessBiology Analytical
Instruments
Laboratory Software
SDMS ReportingCDSLIMS Visualization
Instruments
GCMS LCMSNMRHPLC 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
Laboratory
• What experiments have already been run?
• What experiments should be run next?
Instruments
aboratorySoftware
SDMS ReportingCDSLIMS Visualization
GCMS LCMSNMRHPLC FT IR
• Creating Big Business Pain:
• Experiments are repeated
• Time & money is lostGCMS LCMSNMRHPLC FT‐IR
y
• 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 i il isimilar experiments
• 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 gcharting, scatter plots and interactive reporting options
Mi i d K l d G ti t id t ti ti l• Mining and Knowledge Generation – to provide statistical guidance on what experiments should be performed next.
Transforming Data Silos into Actionable Knowledge
Project Report Job Report
Experiment Report
Site Report Managemen
Standard Reports
Query Builder
Query Visualizer
Ad‐hoc Query & Reporting
• Imports/accesses scientific data from
t Reportdisparate sources
• Organizes Existing D t
EKB Data Mart
EKB Data Mart
Data
• Enables Standard & Ad‐hoc Data Queries MartMartAd‐hoc Data Queries
• Enables Mining of Existing Data
Extract, Transform, Load (ETL)
Existing Data
• Automates Standard Data Operations (e.g.
Laboratory Software
SDMS ReportingCDSLIMS Visualization
Reporting)Instruments
GCMS LCMSNMRHPLC FT‐IR
To Inform & Guide Future Experimentation
• Guides experiment setup, both ad‐hoc & structured
ddd
Experiment Design & Execution
Query BuilderQuery Visualizer
Ad‐hoc Query & Reporting
P j t
Standard Reports
structured
• Ensures Consistent i i
Validate
Project Report Job
Report
Experiment Report
Site Report
Management Report
Experiment Execution
• Enables laboratory EKB Data Mart
EKB Data Mart
operations and tracks experiment status
Extract, Transform, Load (ETL)
• Enables Design of Experiments
Laboratory Software
SDMS ReportingCDSLIMS Visualization
Instruments
GCMS LCMSNMRHPLC FT‐IR
Accelrys EKB Empowers Breakthrough Innovation
Enable scientists to invent step‐out products moreAccelerate step out products more
quickly, improving time‐to‐market
The Innovation Cycle
Build a corporate knowledge base that can be searched and
data mined streamlining
More ValueFrom Data
supply chain, reformulations
Scientists can find and learnScientists can find and learn from past experiments
instead of repeating them saving time and cost
Reduce costsless repetition
Benefitting Materials R&D
Chemicals CPG AgroChemicals
Petro Chemicals
Manufacturing
FormulationsMarket
Formulations
Catalysis
Polymers
ry Vertical M
Segm
ents
Other
Functional Horizontal Market SegmentsIndu
str
For Economically and Environmentally Sustainable Laboratory Operations
Summary
EKB enables customers to develop better materials more quickly with fewer resourcesfewer resources
ResearchResearch
Compliance
DevelopmentDevelopmentCompliance
+Lab Efficiency & Productivity
+I i i P d
ManufacturingManufacturingInnovation in Products
=
Sustainable ScienceSustainable Business