The document discusses Accelrys' new Experiment Knowledge Base (EKB) solution for enterprise lab management. EKB aims to improve lab efficiency, knowledge capture and reuse by transforming scientific data into actionable knowledge. It integrates with existing lab systems and uses preconfigured interfaces and services to help customers intelligently plan, execute, analyze and manage materials development experiments. EKB is expected to accelerate innovation by reducing experiment repetition and costs while enabling scientists to learn from past experiments.
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