scientific business intelligence using pipeline pilot

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Scientific Business Intelligence i using Pipeline Pilot Anneliese Appleton Accelrys, Sydney What is Scientific Business Intelligence? Biz Analyst Management Management Biz Analyst Scientist Engineer Biz Analyst Business Intelligence Engineer Scientific Business Intelligence •Limited Personas •Simple Data Structures Highly Repeatable Tasks •Many Personas •Complex Data Structures •Structured and Unstructured •Automating Processes •Distributing Process Templates •Collaborating A B Highly Repeatable Tasks •Simple Distribution Format Well defined Single Data Model •Highly Granular Tasks •Building Complex Routines •Prototyping Applications •Distributing Applications Multiple Data Models Fully Integrated Well defined Single Data Model Multiple Data Models Fully Integrated Financial Data Customer Data Alpha Numeric Numeric Chemical Text © 2008 Accelrys, Inc. 2 Biological Corporate Data Image

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Scientific Business Intelligenceiusing

Pipeline Pilot

Anneliese AppletonAccelrys, Sydneyy , y y

What is Scientific Business Intelligence?

Biz Analyst

Management

Management

Biz AnalystScientist

EngineerBiz Analyst

Business Intelligence

gEngineer

Scientific Business Intelligence

•Limited Personas•Simple Data Structures•Highly Repeatable Tasks

•Many Personas•Complex Data Structures•Structured and Unstructured

•Automating Processes•Distributing Process Templates•Collaborating

A B

•Highly Repeatable Tasks•Simple Distribution Format

Well defined Single Data Model

•Highly Granular Tasks•Building Complex Routines

g•Prototyping Applications•Distributing Applications

Multiple Data Models Fully IntegratedWell defined Single Data Model Multiple Data Models Fully Integrated

Financial DataCustomer DataAlpha Numeric

Numeric Chemical Text

© 2008 Accelrys, Inc. 2Biological Corporate Data Image

Research Innovation Cycle

GatherDistribute & Report

Present & Review Results

Identify New Opportunity

Data

Prepare Data forGenerate

Report Results

Data for Experiment

The Innovation Cycle

Report

Reformat Import

Collate Results

Results Data

Build ModelValidate

Model

Apply Model to

ExperimentExperiment

© 2008 Accelrys, Inc. 3

ProductivityInnovation

What is Pipeline Pilot?

© 2008 Accelrys, Inc. 4

What is Pipeline Pilot?

© 2008 Accelrys, Inc. 5

Pipeline Pilot Enables…

• Integration of data from multiple di t d tdisparate data sources

• Integration of disparate applicationspp

• Capture and deployment of best practice processes

• Automated execution of routine processes

• Rapid creation of interactiveRapid creation of interactive reports and web applications

© 2008 Accelrys, Inc. 6

Pipeline Pilot Enables…

• Integration of data from multiple di t d tdisparate data sources

• Integration of disparate applicationspp

• Capture and deployment of best practice processes

• Automated execution of routine processes

• Rapid creation of interactiveRapid creation of interactive reports and web applications

© 2008 Accelrys, Inc. 7

Pipeline Pilot Enables…

• Integration of data from multiple di t d tdisparate data sources

• Integration of disparate applicationspp

• Capture and deployment of best practice processes

• Automated execution of routine processes

• Rapid creation of interactiveRapid creation of interactive reports and web applications

© 2008 Accelrys, Inc. 8

Pipeline Pilot Enables…

• Integration of data from multiple di t d tdisparate data sources

• Integration of disparate applicationspp

• Capture and deployment of best practice processes

• Automated execution of routine processes

• Rapid creation of interactiveRapid creation of interactive reports and web applications

© 2008 Accelrys, Inc. 9

Pipeline Pilot Enables…

• Integration of data from multiple di t d tdisparate data sources

• Integration of disparate applicationspp

• Automated execution of routine processes

• Capture and deployment of best practices

• Rapid creation of interactiveRapid creation of interactive reports and web applications

© 2008 Accelrys, Inc. 10

Broad Domain Capabilities of Pipeline Pilot

Chemistry / Chemical Sciences Biological Sciencesy

S i tifi R ti D t d A li ti I t tiScientific 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

© 2008 Accelrys, Inc. 11

y q g

Pipeline Pilot Software Demonstration

© 2008 Accelrys, Inc. 12

Environmental Chemistry & Toxicology with Pipeline Pilot

© 2008 Accelrys, Inc. 13

Crystal formation reporting with Pipeline Pilot

Mouse over changes Display window

C t t lli ti d t ti th d b d i l i ti

~85% of the model correctly scored with probability >. 80 ~12% of ‘not sure’ images ~3% of false positive 0 false negatives

© 2008 Accelrys, Inc. 14

Current crystallisation detection methods based on visual inspection– Many customers have tried “all other methods” and found none to be reliable for their purposes– Customers are adamant that such a system be free of false negatives, some mechanism must be allowed for review of the

classification results to manually re-classify those droplets which were misclassified by the system

Polymer Property prediction with Pipeline Pilot

© 2008 Accelrys, Inc. 15

Clinical Image Management with Pipeline Pilot

© 2008 Accelrys, Inc. 16

Scientific Business Intelligence with Pipeline Pilot

“Collaborate” and Deploy

Decision Support

AutomationProcess Modeling Deploy

Portal Based DeploymentEnhances

Support

User Friendly AdvanceModeling And

Easy To Bring TogetherMultiple Tasks Into

Modeling

Users can build science process models using drag- Enhances

Collaboration & Knowledge Re-use

Modeling And InformaticsFind Meaning In The Data

Multiple Tasks Into A Single Solution

models using drag-and-drop OO technology

Pipeline Pilot Enterprise Server

© 2008 Accelrys, Inc. 17