Integrating CambridgeSoftg g gChemOffice Enterprise and TIBCO SpotfireTIBCO Spotfire

To make a best-in-breed Life Science data visualization and analysis platform

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OverviewOverview

A quick review of the scientific data visualization and qanalysis problem.

CambridgeSoft informatics infrastructure as the data access component.

Spotfire as the data visualization and analysis component. Integrating to yield a best-in-class solution. Demo

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ProblemProblem

Present drug discovery data to the scientists such that they can easily develop and compare hypotheses.

– Lots of data from multiple assays.– The key hypotheses change during the lifespan of a project.

View the problem through 2 lenses at Array:– Drug discovery and development– Translational Medicine

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The structure of scientific dataThe structure of scientific data

Data visualization and analysis is not a new problem and is y pnot unique to life sciences.

BUT, there are some aspects of scientific data that render it more challenging than other fields.– Diversity of data types and end points.– Diversity of units.– Highly multivariate space.

Conceptually, the data space is a large, hierarchically organized sparse matrixorganized, sparse matrix.

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Data shapeData shape

There are 2 traditional “shapes” to data:p– Tall and Skinny Compound Assay Result

AR123 MEK 20AR123 MEK 20AR123 BRAF 10AR123 AKT 5

– Short and Wide

etc.

Compound MEK BRAF AKTAR123 20 10 5

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Shape of drug discovery data is hierarchicalShape of drug discovery data is hierarchical

Compound Compound average (e.g. Avg. IC50)

Batch Batch average (e.g.Average IC50)

(sample) Assay Run (e.g. IC50)

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Or more accuratelyOr more accurately…

Compound

Batch

(sample)

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Shape of translational medicine data – 2 linked hierarchies

AE’sPK

ConmedsPD

DemogSubjectIHC Sample

Treatment“Omics”

Med HXInventory

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The ideal solutionThe ideal solution

The ideal solution – Keeps track of the Compounds of interest or Subjects of

interest.– Allows the user to transition between levels of the data

hierarchy easily and elegantly.– Integrates form, grid (spreadsheet), and visual

representations of the data.Respects and employs the hierarchical nature of the data– Respects and employs the hierarchical nature of the data domain.

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Why is data visualization important?Why is data visualization important?

Napoleon's march on Moscow 1812-1813 in a QSAR-like ptable:

Date Troop # Position Direction Temp11/01/1812 150302 120 12' 15", 37 23' 43" Attacking11/05/1812 132983 120 30' 15", 37 44' 13" Attacking11/12/1812 120302 121 02' 14", 38 45' 20" Attacking11/15/1812 115093 121 23' 41", 38 57' 21" Attacking…

01/23/1813 53203 121 23' 41", 38 57' 21" Retreating 001/31/1813 47392 121 02' 14" 38 45' 20" Retreating -1501/31/1813 47392 121 02 14 , 38 45 20 Retreating 1502/13/1813 32020 120 30' 15", 37 23' 43" Retreating -1002/17/1813 17203 120 12' 15", 37 23' 43" Retreating -18

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…

As a visualizationAs a visualization…

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So visual scanning important because of:So, visual scanning important because of:

Density of data.y Humans are (usually) visual creatures.

– Specifically, humans are good at spatial visual scanning vs.Specifically, humans are good at spatial visual scanning vs. temporal visual scanning.

– Thus, put the data side-by-side. Read Tufte’s books

– The Visual Display of Quantitative Information– Envisioning Information– Visual Explanations: Images and Quantities, Evidence and

NNarrative

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OverviewOverview

A quick review of the scientific data visualization and qanalysis problem.

CambridgeSoft informatics infrastructure as the data access component.

Spotfire as the data visualization and analysis component. Integrating to yield a best-in-class solution. Demo

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CambridgeSoft Infrastructure for Drug g gDiscovery data

BioAssay AssayADMETManual Feed BioAssay

Oracle DB

SubmissionWeb App

Manual FeedDesktop App

ADMETAutomated Feed

Data Mining

O l DB

Automated FeedServer App

Biology Data MartRegistration

Oracle DB

Oracle DB

PhysicalProperties

Oracle DB

PropertiesServer App

BioSAR ChemBioVIZ.NETChemDrawFor Excel Spotfire

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Web App Desktop AppDesktop App Desktop and Web App

What we have today:What we have today:

All Efficacy, Bioavailability, and Toxicity data is fielded to a y, y, ycentralized Oracle data mart.

A meta-data database (BioSAR) and a variety of reporting tools sitting on this data mart and is used for data extraction– Research Assay History– ChemBioViz for Excel– BioSAR

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Developing Translational Medicine infrastructureDeveloping Translational Medicine infrastructure

MedidataRAVE

SASfil

BioAssayWinNonLin

RAVEValidated eCRF

filesNightly output

SAS

BioAssay

PD data

WinNonLin

PK data processing

Translational Med.D t M t

Sample inventory

Clinical Data Mart

CSVfiles

Data Mart infoClinical Data Mart

ChemBioVIZ.NETChemDrawFor ExcelSpotfire

We’re not here yet, but most of the pieces are in place – we h t tit h th t th

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For Excel

Desktop AppDesktop and Web App

have to stitch them together.

SpotfireSpotfire

Well-established best-in-breed general data visualization gand analysis tool.

Widely used in the pharmaceutical industry. Includes very robust data modeling features and a fantastic

API.

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TIBCO Spotfire Enterprise Analytics –yPlatform Overview

Managers, Consumers,Executives

AnalystsIndependentsConfigurators

AnalystsInformaticiansStatisticians

Managers, Consumers,Executives Informaticians

Statisticians

CLIE SpotfireWeb Player

(*) SpotfireEnterprise Player

SpotfireProfessional Spotfire S+ Spotfire Miner E

NTS

(*) Advanced Computational EnginesZero install web client Visual, Analytic & Dynamic In-Memory Engines

Web Player Enterprise Player Professional

SpotfireD l

pp

SE

RV

ER

Developer

Spotfire Web Player Server Administration & Integration

Spotfire Server

(*) Spotfire Application Data

(*) Event Processing Computation Engine

(*) Spotfire Statistics Services

(*) Spotfire Automation Services

RS

IT / DBA

In-Memory EnginesApp Data Connectivity

Application Data Services

Real-Time Connectivity

Processing Services - OA

Computation Engine( ) Spotfire Automation Services

SDKs

DA

TAS

OU

RC

E RDBMS

Development,Solutions,Integration Flat

FilesWeb

ServicesSpread-sheets

SAP R/3SAP BW

OracleE-Business

SiebeleBusiness

Event Data StreamsCustom

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ES

(*) = Optional components

OverviewOverview

A quick review of the scientific data visualization and qanalysis problem.

CambridgeSoft informatics infrastructure as the data access component.

Spotfire as the data visualization and analysis component. Integrating to yield a best-in-class solution. Demo

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Timeline and approachTimeline and approach

In the spring and summer of 2010, we reviewed the state of p g ,the art in life science data visualization and analysis tools.

Nothing was a great fit for our needs and budget. Array approached CambridgeSoft and Spotfire and

proposed a new integrated solution .– Both the new ChemOffice Enterprise and the new Spotfire

DecisionSite are .NET applications.Th h b i t ti t th t bl– They each bring strong expertise to the table.

– Array has a long history of working with best-of-breed solution providers to create novel integrated solutionsproviders to create novel integrated solutions.

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ProcessProcess

First proposal made in August/Sept. of 2010.p p g p First proof-of-concept completed at the end of October. The last ~5 months have focused on converting the proof-g p

of-concept into productized code. The full system is installed and operational on a

development infrastructure at Array We plan to go to production at the end of Q2.

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Conceptual architectureConceptual architecture

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Demo – example workflowDemo – example workflow

Focus on Drug Discovery example.g y p User:

1. Builds a form in ChemBioVIZ.Net.1. Builds a form in ChemBioVIZ.Net.2. Queries for Batches of interest.3. Pulls the data into Spotfire.p4. Identifies a key comparison of interest.5. Aggregates the key assay data up to the Batches level.gg g y y p6. Builds the key plot.7. Identifies the lead compounds to advance.

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ChemBioVIZ Net - Form viewChemBioVIZ.Net - Form view

Any number of Forms, Tables, Assemble dataAny number of Forms, Tables, and query interfaces.

Assemble data from assays and aggregate to any level of the data hierarchyhierarchy

Queries permits pfor tracking lists

of compounds of interest and

list logic.g

Send to Spotfire

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Send to Spotfire.

ChemBioVIZ Net – Dataview treeChemBioVIZ.Net – Dataview tree

Allows for administrative control of how the users access data.

Organized by project, therapeutic area, etc. as needed.

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Clicking “Send to Spotfire” for its robust capabilitiesClicking Send to Spotfire for its robust capabilities

Example, enzymatic assay vs. cell assay, color by Rule of 5 violations.

Mouse-over to get details.

Select to populate

Details-on-demand showing t t

Select to populate drill-down chart.

structure

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Spotfire – SAR tableSpotfire – SAR table

With rich qualitative and quantitative coloring (structures hidden in this examle).

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From within the Spotfire workflow – modify ythe data in the analysis Results criteria editor permits application-independent authoring of the

data to view.

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Results Criteria Editor featuresResults Criteria Editor features

Fast access to all tablesFast access to all tables in the dataview.

Fast form building.A t b t Aggregate between hierarchy levels.

Drag-and-drop column organization.

Quick filtering of available columns.co u s

Column renaming.

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Features of the integrated solutionFeatures of the integrated solution.

ChemBioVIZ.Net and the Spotfire view are in sync. p ySelecting a point in Spotfire places that Compound in view in the Form viewer.

The Results Criteria will allow for a user to transition from ChemBioVIZ.Net to CBV for Excel to Spotfire easily.

The Spotfire analysis file “remembers” it’s Results Criteria The Spotfire analysis file “remembers” it’s Results Criteria and thus can be launched independently.

Loosely coupled but tightly integrated solutionLoosely coupled, but tightly integrated solution.

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CambridgeSoft and Spotfire – current statusCambridgeSoft and Spotfire – current status

The proof-of-concept was very successful – quick p p y qimplementation and the integration works well.

Work is ongoing to productize the solution - Array plans to have a first implementation in production at the end of Q2.

Spotfire deployed at Array.– Training ongoing– Value being generated even with flat-file and SD file

i t tiintegrations. Combined solution promises to proved Drug Discovery and

Translational Medicine solutions to Array.Translational Medicine solutions to Array.

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Questions?Questions?

Thank you!y

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