c d d mind the health gap 2010 talk.ppt [ autosaved]
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Collaborative Drug Discovery (CDD) Mind the Health Gap Presentation from 2010 on Novel Technologies for SAR Data Mining, Private-to-Private, and Private-Public Collaborations - presented by Barry BuninTRANSCRIPT
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• 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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CDD aids Collaborations
ResultNew leads reveal known drugs that reverse chloroquine resistance
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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.© 2010 Collaborative Drug Discovery, Inc.
Yes We Can!
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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Networks Selectively Collaborating “Public-Private Partnerships”
# of [compds][targets][indications][experts] = (xyz)(pdq)(abc)(lmn)
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CDD Database for Your Private Data
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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
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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
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• 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
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…
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Inside company
Collaborators
Current investments>$1M/yr
>$10-100’s M/yr
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Yes we can…predictions now can be shared without revealing structures!
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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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Back Pocket
© 2010 Collaborative Drug Discovery, Inc.
Telescopic View of Multiple Vaults & Data Sets
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Simultaneously Search All Vaults & Data Sets:Gets You “Outside the Box”
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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)
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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CDD Collaborative Drug Discovery, Inc.
Burlingame, CAwww.collaborativedrug.com
Barry A. Bunin, PhDCEO & President
Archive, Mine, Collaborate®
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CDD3 Data Mapper:Intuitive Templates and Previews Simplify Archival
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CDD Projects – More Advanced Collaborate
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Collaborative Dashboard for SecureTo-the-Minute Global R&D Tracking
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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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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)
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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.
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Fundamentally Faster Rate of Innovation
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CDD Search Results View
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Super Simple Scatter Plots
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Heat Maps, Controls, & Plate Statistics
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