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A Web-Based Collaborative Drug Discovery Platform


                                                 Barry Bunin, Ph.D.

                                                  CEO and President

                                       Collaborative Drug Discovery, Burlingame, CA.
                                                www.collaborativedrug.com




© 2009 Collaborative Drug Discovery, Inc.                                                                 Archive, Mine, Collaborate
                                                                          Copyright © 2011 All Rights Reserved Collaborative Drug Discovery
CDD for Private, Collaborative, & Public Research


  • Users: 21,197 unique logins last year (scalable in the cloud)

  • Interoperability/Standards: csv/SMILES, sdfiles, PubMed,
    ChemSpider-Pubchem, REST Based Architecture for APIs

  • Employing technology to facilitate partnerships: both pre- and
    post-IP agreements supported

  • Expanding the precompetitive space: the key is supporting
    traditional (IP sensitive), collaborative (pre-IP), and open (post-IP) –
    all these are real use cases


© 2009 Collaborative Drug Discovery, Inc.                                                  Archive, Mine, Collaborate
                                                           Copyright © 2011 All Rights Reserved Collaborative Drug Discovery
© 2009 Collaborative Drug Discovery, Inc.   Archive, Mine, Collaborate
CDD Platform For Collaborating with IP Sensitive SAR Data




© 2009 Collaborative Drug Discovery, Inc.                                           Archive, Mine, Collaborate
                                                    Copyright © 2009 All Rights Reserved Collaborative Drug Discovery
Data Partitioning for Multiple Collaborations



                                                     Consolidated
                                                       CDD DB
                                                             Pr
                                                               oj                     Proj




                                                        tB
                                                 A
                                          j e ct                    ec                       e ct D




                                                       ec
Company A                             Pro                                tC


                                                       oj
                                                     Pr




         Collaborator 1                 Collaborator 2          Collaborator 3                                 Collaborator 4

© 2009 Collaborative Drug Discovery, Inc.                                                                     Archive, Mine, Collaborate
                                                                              Copyright © 2009 All Rights Reserved Collaborative Drug Discovery
Collaborative Capabilities for
                                               Efficient International Drug Discovery

     Individual Pain Points                 Organizational Need              Technical Solution

     Keep scientist’s data                  Collaboration is as much         Temporal data access
     private until ready to                 about more efficient work        controls
     share (i.e. with the rest of           within a single
     their groups)                          organization as between
                                            organizations.
     Allow scientists to                    Control of chemical or           Spatial data partitioning
     partition or sequester data            biological data access
     to enable selective data               based on Project-specific
     sharing                                permissions
     Allow collaboration in                 Control based on type of         Sequester by data
     scientist’s natural                    data – especially given a        classification
     workflow (i.e. without                 marketplace with
     uploading data multiple                specialization in
     times in multiple places)              synthesis, screening,
                                            discovery, development

© 2009 Collaborative Drug Discovery, Inc.                                                         Archive, Mine, Collaborate
                                                                  Copyright © 2011 All Rights Reserved Collaborative Drug Discovery
User Roles and Privileges in CDD




© 2009 Collaborative Drug Discovery, Inc.                       Archive, Mine, Collaborate
CDD Convenient Mining & Export Options




© 2009 Collaborative Drug Discovery, Inc.                            Archive, Mine, Collaborate
CDD Configurable IC50 Dose Response Capabilities




© 2009 Collaborative Drug Discovery, Inc.                               Archive, Mine, Collaborate
© 2009 Collaborative Drug Discovery, Inc.   Archive, Mine, Collaborate
Secure and Low TCO (Total Cost of Ownership)


     CDD database system



      • Web based (log in securely into to your database from any
        computer).
      • We host the server for you
      • Highly secure, all traffic encrypted, server in a secure
        professionally hosted environment.




© 2009 Collaborative Drug Discovery, Inc.                                                    Archive, Mine, Collaborate
                                                             Copyright © 2009 All Rights Reserved Collaborative Drug Discovery
CDD Drug Repurposing 2009 Case Study #1




                                                               Result
                                                               New leads reveal known
                                                               drugs that reverse
                                                               chloroquine resistance




© 2009 Collaborative Drug Discovery, Inc.                           Archive, Mine, Collaborate
CDD 2011 EU PPP Case Study #2




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

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Cdd collaborative molecular registration and sar database

  • 1. A Web-Based Collaborative Drug Discovery Platform Barry Bunin, Ph.D. CEO and President Collaborative Drug Discovery, Burlingame, CA. www.collaborativedrug.com © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate Copyright © 2011 All Rights Reserved Collaborative Drug Discovery
  • 2. CDD for Private, Collaborative, & Public Research • Users: 21,197 unique logins last year (scalable in the cloud) • Interoperability/Standards: csv/SMILES, sdfiles, PubMed, ChemSpider-Pubchem, REST Based Architecture for APIs • Employing technology to facilitate partnerships: both pre- and post-IP agreements supported • Expanding the precompetitive space: the key is supporting traditional (IP sensitive), collaborative (pre-IP), and open (post-IP) – all these are real use cases © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate Copyright © 2011 All Rights Reserved Collaborative Drug Discovery
  • 3. © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate
  • 4. CDD Platform For Collaborating with IP Sensitive SAR Data © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate Copyright © 2009 All Rights Reserved Collaborative Drug Discovery
  • 5. Data Partitioning for Multiple Collaborations Consolidated CDD DB Pr oj Proj tB A j e ct ec e ct D ec Company A Pro tC oj Pr Collaborator 1 Collaborator 2 Collaborator 3 Collaborator 4 © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate Copyright © 2009 All Rights Reserved Collaborative Drug Discovery
  • 6. Collaborative Capabilities for Efficient International Drug Discovery Individual Pain Points Organizational Need Technical Solution Keep scientist’s data Collaboration is as much Temporal data access private until ready to about more efficient work controls share (i.e. with the rest of within a single their groups) organization as between organizations. Allow scientists to Control of chemical or Spatial data partitioning partition or sequester data biological data access to enable selective data based on Project-specific sharing permissions Allow collaboration in Control based on type of Sequester by data scientist’s natural data – especially given a classification workflow (i.e. without marketplace with uploading data multiple specialization in times in multiple places) synthesis, screening, discovery, development © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate Copyright © 2011 All Rights Reserved Collaborative Drug Discovery
  • 7. User Roles and Privileges in CDD © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate
  • 8. CDD Convenient Mining & Export Options © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate
  • 9. CDD Configurable IC50 Dose Response Capabilities © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate
  • 10. © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate
  • 11. Secure and Low TCO (Total Cost of Ownership) CDD database system • Web based (log in securely into to your database from any computer). • We host the server for you • Highly secure, all traffic encrypted, server in a secure professionally hosted environment. © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate Copyright © 2009 All Rights Reserved Collaborative Drug Discovery
  • 12. CDD Drug Repurposing 2009 Case Study #1 Result New leads reveal known drugs that reverse chloroquine resistance © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate
  • 13. CDD 2011 EU PPP Case Study #2 © 2009 Collaborative Drug Discovery, Inc. Archive, Mine, Collaborate