cdd mind the health gap 2010 talk.ppt [autosaved]

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2009 Collaborative Drug Discovery, Inc. CDD Strong Community-Based Mission & Values Neglected disease and commercial disease are both core components Collaborative culture – share successes and failures, as much as possible Tap leading community expertise with industry focused process Do Groundbreaking Work Revolutionary approaches to solving critical health problems Imagine what would be possible in an ideal world, practically implement Discover drugs while changing the nature of the game Copyright © 2010 All Rights Reserved Collaborative D Discovery

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CDD Mind the Health Gap 2010 Presentation by Barry Bunin on technology to mine drug discovery data, secure private-to-private, and private-public collaborations.

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Page 1: Cdd mind the health gap 2010 talk.ppt [autosaved]

Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

• CDD Strong Community-Based Mission & Values• Neglected disease and commercial disease are both core components

• Collaborative culture – share successes and failures, as much as possible

• Tap leading community expertise with industry focused process

• Do Groundbreaking Work• Revolutionary approaches to solving critical health problems

• Imagine what would be possible in an ideal world, practically implement

• Discover drugs while changing the nature of the game

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

CDD aids Collaborations

ResultNew leads reveal known drugs that reverse chloroquine resistance

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

CDD Successfully Builds Collaborative Drug Discovery Communities

• DDT, 2009 (14: 261-270): • $2. 9M Tuberculosis B&MGF Project• >6 Years CDD SaaS in the Cloud • Thousands of scientists engaged:

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.© 2009 Collaborative Drug Discovery, Inc.

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.© 2010 Collaborative Drug Discovery, Inc.

Yes We Can!

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

• What are the challenges and opportunities for the field?• How are your priorities changing?• What are the emerging bottlenecks?• What if?

– Any technology, any collaborators, if you had a magic wand…

Register for GlaxoSmithKline on CDD Public

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Networks Selectively Collaborating “Public-Private Partnerships”

# of [compds][targets][indications][experts] = (xyz)(pdq)(abc)(lmn)

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

CDD Database for Your Private Data

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Collaborate Mode 1 – Big Pharma with single login to multiple CROs/Biotech groups

Collaborator 1 Collaborator 2 Collaborator 4Collaborator 3

Consolidated CDD DB

Project A Project DPro

ject B

Company A

Project C

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Collaborate Mode 2 – Peer-to-Peer: Any Data via Any Query Can Be Securely Shared

CDD DB group 1

CDD DB group 2

CDD DB group 3

CDD DB group 4

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

• What are the challenges and opportunities for the field?• How are your priorities changing?• What are the emerging bottlenecks?• What if?

– Any technology, any collaborators, if you had a magic wand…

Questions for our Field

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Where CDD Adds Value – Moving top Drug Leads Forward

CDD moves top leads forward

Value Academics + CDD

$0.1M

$1M

$10M

$5M

$0.3M

Enzymatic Assays

Cell BasedFunctional

Assays

Animal Efficacy

Tox/PK

Academic Early Drug

Leads

-1 yr-2 yr 2 yr

Med Chem

Lead Optimization

1 yr

CDD better than money alone

Billion $Examples:

Taxol

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1. Spend only 20% on descriptors and algorithms2. Selectively share your models with collaborators and control access3. Have someone else host the models / predictions

What if you could…

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

Inside company

Collaborators

Current investments>$1M/yr

>$10-100’s M/yr

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Yes we can…predictions now can be shared without revealing structures!

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

The future: Alerts in CDD

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CDD Platform

• Modules:

• CDD Vault – Secure place for private data – private by default

• CDD Collaborate – Selectively share subsets of data

• Datasets:

• CDD Public – expanding public data sets

• published compounds

• data from community members

• vendor libraries

• Unique to CDD – simultaneously query your private data, collaborators’ data, & public data

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Securely Zoom in-and-out of Private, Collaborative, and/or Public Vaults (Data)

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Back Pocket

© 2010 Collaborative Drug Discovery, Inc.

Telescopic View of Multiple Vaults & Data Sets

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.© 2010 Collaborative Drug Discovery, Inc.

Simultaneously Search All Vaults & Data Sets:Gets You “Outside the Box”

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

New Types of Offerings for a Rapidly Changing Industry

• CDD Community: tap into global R&D via “crowd-sourcing”• CDD Alliance: better management of your collaborations• CDD Customize: fast, good, and cost-effective = agile

Use CDD Vault™, Collaborate™, Public™ for Global R&D Community

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Acknowledgements

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

• Industry: Eli Lilly & Co., GlaxoSmithKline, Pfizer

• Foundations: Bill & Melinda Gates Foundation, Myelin Repair Foundation

• Initial TB pilot laboratories

• Academics: CDD Researcher Community

• 1000s of CDD collaborators from academia, foundations and industry

• CDD: …including ChemAxon Tools under the hood

• Sean Ekins, PhD, DSc (Collaborations Director – Philadelphia)

• Pfizer, Lilly, Concurrent Pharmaceuticals, GeneGo

• Moses Hohman, PhD (VP Software Development – Chicago)

• Northwestern Assoc. Director of Bioinformatics, Thoughtworks, Inc., U of Chicago (PhD), Harvard (magna cum laude, Physics)

• Sylvia Ernst, PhD (Senior Director Community Growth – Oregon)

• Accelrys-Scitegic, MDL

• Andrea Barry (Senior Director Business Dev – N. Carolina)

• Accelrys-Scitegic, MDL

• Kellan Gregory (Head Community Interests Group – California)

• Anna Spektor (Community Advocate, ex-IDBS)

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

• Start with Strong Mission & Values• Neglected disease and commercial disease are both core components

• Collaborative culture – share successes and failures, as much as possible

• Tap leading community expertise with industry focused process

• Do Groundbreaking Work• Revolutionary approaches to solving critical health problems

• Imagine what would be possible in an ideal world, practically implement

• Discover drugs while changing the nature of the game

• What if…you had a magic wand?

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

Answers for Our Field

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

CDD Collaborative Drug Discovery, Inc.

Burlingame, CAwww.collaborativedrug.com

Barry A. Bunin, PhDCEO & President

[email protected]

Archive, Mine, Collaborate®

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

CDD3 Data Mapper:Intuitive Templates and Previews Simplify Archival

Copyright © 2009 All Rights Reserved Collaborative Drug Discovery

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

CDD Projects – More Advanced Collaborate

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Collaborative Dashboard for SecureTo-the-Minute Global R&D Tracking

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

Page 27: Cdd mind the health gap 2010 talk.ppt [autosaved]

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CDD Case Study: Create a Globally Connected TB Researcher Community

• TB Literature and Patent SAR: > 125,000 public TB Bioassay data points for all researchers to use• TB Literature and Patent SAR: > 125,000 public TB Bioassay data points for all researchers to use

• 20 pilot user groups oversubscribed• 5 consortium actively utilizing CDD software for TB research• Implemented scalable policy for worldwide use (free software, paid services)…beyond the Bill & Melinda Gates Foundation project

• 20 pilot user groups oversubscribed• 5 consortium actively utilizing CDD software for TB research• Implemented scalable policy for worldwide use (free software, paid services)…beyond the Bill & Melinda Gates Foundation project

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

CDD database system

• Web based (log in securely into to your database from any computer).

• We host the server for you (SaaS)• Highly secure, all traffic encrypted, server in a secure

professionally hosted environment.

Secure and Low TCO (Total Cost of Ownership)

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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CDD database system: Security overview

• CDD encrypts all traffic between a user's web browser and our servers once the user has logged in.

• CDD does thorough automated testing of our application code, including security tests to make sure one group cannot access another group's private data.

• CDD uses two levels of firewalling ("defense in depth"), hardware and software, for each sensitive server in our server environment.

• CDD encrypts all database and customer file backups using public key cryptography, and the private keys are backed up securely.

• CDD stores user passwords in our database using strong, one-way encryption hashes. • CDD stays current with all security updates to our system software, firmware and operating

systems. • CDD uses Linux systems in production. • A number of application security enhancements around password security are being made

mandatory. • Access to production servers and superuser accounts is limited and audited within CDD.

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Fundamentally Faster Rate of Innovation

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

CDD Search Results View

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Super Simple Scatter Plots

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Archive, Mine, Collaborate© 2009 Collaborative Drug Discovery, Inc.

Heat Maps, Controls, & Plate Statistics

Copyright © 2010 All Rights Reserved Collaborative Drug Discovery