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In vivo         Safety




      Pipeline          Patents




Literature        SAR             News
data integration
data integration
                     data integration
data integration
                          data integration
    data integration
                         data integration
  data integration
                       data integration
 data integration
                       data integration
The Innovative Medicines Initiative
   EC funded public-private partnership for
    pharmaceutical research

Focus on key problems
   Efficacy
   Safety
   Education & Training
   Knowledge Management
Open PHACTS
        an infrastructure project
Develop / apply a set of robust standards…
Implementing the standards in a semantic integration
  platform (“Open Pharmacological Space”)…
Delivering services to support on-going drug discovery
  programs in pharma and public domain
Mix ideal with the pragmatic. Build open that can
  accommodate non-open components in the real
  world.
23 partners
  9 pharma
  14 academic/SME/society
  5 new partners in the process
Pharma bring...
Pre-competitive collaboration
Agreement on standards, approaches
Research questions drive development
Clear use cases
Drive and direction
Example research questions
Give all compounds with IC50 < xxx for target Y in species
  W and Z plus assay data
What substructures are associated with readout X (target,
  pathway, disease, …)
Give all experimental and clinical data for compound X
Give all targets for compound X or a compound with a
  similarity > y%

73 questions identified across consortium
What does „Open‟ mean?
OPS Open - open access to all
OPS Consortia - data sets licensed just to the consortia
OPS Academia - fully open to academia
“My OPS”

Open Source
Open Access Infrastructure. GUI and back-end platform, online
  or download both + data for local setup
Open Services: for example, RSC services
Open Data + Private Data: licensing fun for all the family
Commercial providers: abstract service interface to swap in
  commercial and open source platforms
Agile Development: 6 month ‘lash up’
• Produce a working ‘lash up’ system
• Constrained to technologies in consortium + a few data
  sources
• Focused on 2 prioritized research questions
    • All oxidoreductase inhibitors active <100nM in both
      human and mouse
    • For a given compound [clozapine], give me the
      interaction profile with [human or mouse] targets
• Minimum requirements: two data sources (one targets,
  one compounds) and able to produce answers in ‘manual
  time’.
‘lash-up’: youtube.com/openphacts
UTOPIA Documents (U Manchester)
Sustainability and community
    Data in and data out

    Consortium (pharma) members
    Public and commercial
     databases
    Publishers
    Services built on OPS
Sustainability $

After 3 years?

Pharma customers
Public funders
Services built on top
Publishing data in
Focus and future
One area - pharmacology
“Production Level” software
Semantic pragmatics: everyday use
by scientists not informaticians          Developers
                                           (Builders)



An infrastructure that can be built
upon, to provide a stable foundation
for further pre-competitive informatics     End users
collaboration                               (Drivers)
Nanopublications
Capturing scientific information in the Triple Store
Onwards and Upwards
Connection between developers and users
Architecture
Services: e.g. entity identification and resolution
and representing similarity, ORCID, DataCite
Models: RDF / Nanopublication model spec and
guidelines

Prototype
March 2012: Internal Prototype Delivery
September 2012: Release 1st Prototype
Why should you care?
Will be first real large scale semantic
 data integration project – a pilot that
 can be extended



Provides a single delivery format and
  pipeline to your customers?
Find out more?


Email me



Apr/May 2012 - a workshop and intro
 for publishers

also for data providers/vendors
Time’s Up!
About your speaker:
 Name: Richard Kidd
 Company: RSC
 Tel: +44 1223 432344
 Email: kiddr@rsc.org
 Social Media:   @open_phacts
   slideshare.com/open_phacts
 Lash-up: youtube.com/openphacts

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2013-12-04 Experimental data guided docking allows to elucidate the molecular...
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2013 Open PHACTS Scientific Questions Poster
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2013 Open PHACTS Exemplars Poster
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2011-12-02 Open PHACTS at STM Innovation

  • 1.
  • 2. In vivo Safety Pipeline Patents Literature SAR News
  • 4. data integration data integration data integration data integration data integration data integration data integration data integration data integration data integration
  • 5. The Innovative Medicines Initiative EC funded public-private partnership for pharmaceutical research Focus on key problems Efficacy Safety Education & Training Knowledge Management
  • 6. Open PHACTS an infrastructure project Develop / apply a set of robust standards… Implementing the standards in a semantic integration platform (“Open Pharmacological Space”)… Delivering services to support on-going drug discovery programs in pharma and public domain Mix ideal with the pragmatic. Build open that can accommodate non-open components in the real world.
  • 7. 23 partners 9 pharma 14 academic/SME/society 5 new partners in the process
  • 8. Pharma bring... Pre-competitive collaboration Agreement on standards, approaches Research questions drive development Clear use cases Drive and direction
  • 9. Example research questions Give all compounds with IC50 < xxx for target Y in species W and Z plus assay data What substructures are associated with readout X (target, pathway, disease, …) Give all experimental and clinical data for compound X Give all targets for compound X or a compound with a similarity > y% 73 questions identified across consortium
  • 10. What does „Open‟ mean? OPS Open - open access to all OPS Consortia - data sets licensed just to the consortia OPS Academia - fully open to academia “My OPS” Open Source Open Access Infrastructure. GUI and back-end platform, online or download both + data for local setup Open Services: for example, RSC services Open Data + Private Data: licensing fun for all the family Commercial providers: abstract service interface to swap in commercial and open source platforms
  • 11. Agile Development: 6 month ‘lash up’ • Produce a working ‘lash up’ system • Constrained to technologies in consortium + a few data sources • Focused on 2 prioritized research questions • All oxidoreductase inhibitors active <100nM in both human and mouse • For a given compound [clozapine], give me the interaction profile with [human or mouse] targets • Minimum requirements: two data sources (one targets, one compounds) and able to produce answers in ‘manual time’.
  • 13. UTOPIA Documents (U Manchester)
  • 14. Sustainability and community Data in and data out Consortium (pharma) members Public and commercial databases Publishers Services built on OPS
  • 15. Sustainability $ After 3 years? Pharma customers Public funders Services built on top Publishing data in
  • 16. Focus and future One area - pharmacology “Production Level” software Semantic pragmatics: everyday use by scientists not informaticians Developers (Builders) An infrastructure that can be built upon, to provide a stable foundation for further pre-competitive informatics End users collaboration (Drivers)
  • 18. Onwards and Upwards Connection between developers and users Architecture Services: e.g. entity identification and resolution and representing similarity, ORCID, DataCite Models: RDF / Nanopublication model spec and guidelines Prototype March 2012: Internal Prototype Delivery September 2012: Release 1st Prototype
  • 19. Why should you care? Will be first real large scale semantic data integration project – a pilot that can be extended Provides a single delivery format and pipeline to your customers?
  • 20. Find out more? Email me Apr/May 2012 - a workshop and intro for publishers also for data providers/vendors
  • 21. Time’s Up! About your speaker: Name: Richard Kidd Company: RSC Tel: +44 1223 432344 Email: kiddr@rsc.org Social Media: @open_phacts slideshare.com/open_phacts Lash-up: youtube.com/openphacts