Richard Bolton (GSK and Pistoia's ELN query services workstream coordinator) discusses the Alliance's chemistry strategy, which includes ELN query standards, hosted ELN, and chemistry externalization faciliation

1. Richard Bolton Strategy for IT and Portfolio for Discovery, GSK ELN Query Services workstream Coordinator, Pistoia Pistoia Alliance Conference Boston, MA – April 12th 2011 The Pistoia AllianceChemistry Live Strategy

2. Recap: Pistoia Mission & Vision Lowering the barriers to innovation by improving inter-operability of R&D business processes through pre competitive collaboration

3. Pistoia Activity Domains Biology/ Translational Research “Understanding Disease” Chemistry Live “Linking Structure with Outcome” Scientific Collaboration

4. What am I going to cover today… Current Industry trends and changes that are impacting the Chemistry space. Introduction to Chemistry Live concept Two possible use cases reviewed ELN query standards and hosted ELN Chemistry Externalisation process facilitation Discussion

5. What’s happening in big Pharma that’s impacting the Chemistry space? Significantly reduced cost of operation The operating model is externalising; innovative science is being chased regardless of geographic location. Many more joint ventures, partnerships and alliances are forming. CRO’s are potentially being engaged to provide both directed synthesis and end-to-end research services New companies are being spun out from existing research programmes. Work previously undertaken ‘under one roof’ is now widely distributed around the world. Sample logistics crosses international borders. Hosted and Cloud based software and storage solutions are being embraced. SaaS/IaaS etc models are all gaining ground where they are cost effective Appropriate data accessibility is seen as a key to success.

6. What is Chemistry Live? A programme of work outlining how Pistoia could help to facilitate pre-competitive change and to showcase Pistoia ambition in the Chemistry area. Work packages will be developed and will look for sponsorship from members. Likely no more than 2 workstreams will be run at any time.

7. Pistoia Strategy ELN Query Standard and hosted ELN ELN ‘Electronic Lab Notebook’

8. ELN Yesterday…. Focus on IP protection Client Server setup behind a firewall Little integration between systems. No ability to query systems from outside native clients Partners using non compatible systems (often paper based systems)

9. ELN Today…. Need for partners to use ELN to manage IP. Existing ELN’s being shared using various workarounds (Citrix virtualisation, deployment of ELN at partner site etc) Capability to query ELN’s outside native client appearing

10. ELN Tomorrow…. Many private and public cloud based ELN offerings. CRO’s, Academics, Partners and Alliances use their own ELN systems and interchange data in standard formats. ELN query standards allow a mix of mart based and federated query. Archive and search are still separate functions Expectation from Scientists that the use of ELN adds significant value to workflow

11. How can Pistoia facilitate getting to the ELN of tomorrow sooner Programme of work to…. Cross Pharma program to take draft standard and produce reference implementation Agree one possible data structure for query datamart . Demonstrate single interface to query across transactional system (where vendor allows it), the meta data mart and public data set. Work with legal teams to ensure IP capture is acceptable Explain Path to Value Produce proposed project charter Get funding…….

12. ELN Query Standard and Hosted ELN Value Shared needs Common requirements Standards Solutions / Services Use Externalised solutions with partners. Access to knowledge from multiple repositories. Participate in definition of ELN query standard. Adopt standard. Adopt standards compliant solutions Reject non-compliant solutions? Flexible deployment. Query across multiple sources of ELN data. Archive of experiment for 65 years Ability to mine data from multiple sources Lower cost of operation More functionality Buyer Provide common user stories. Technology agnostic Participate in definition of standards Publish standards Drive adoption Identify provider(s) Assess compliance of solutions/services Provide ‘label’ for compliant solutions/services Provide forum for discussions Mission accomplished Broker Understand requirements (possibly participate in generation) Participate in definition of standards Adopt standards Offers interface to ELN which can be queried using standard. Consistent product across multiple customers. Vendor can provide more functionality. Performance in transactional system Opens new business models. Provider

13. ELN Query Standard and Hosted ELN Shared needs Common requirements Use Externalised solutions with partners. Access to knowledge from multiple repositories. Flexible deployment. Query across multiple sources of ELN data. Archive of experiment for 65 years. Buyer . .

15. Data needs to be kept for 65 years for IP protection.

16. The transactional systems are becoming harder and harder to query

17. Partnerships form rapidly and currently Pharma infrastructure to deliver ELN over the web cannot respond appropriately.

18. Identification of Pharma companies prepared to fund efforts. Identification of Vendors who wish to participate. Engagement as a steering committee.

19. Development of a project team of interested parties to pull together both a more detailed plan and a cost model.

20. Agreement on engagement of an integrator.

21. All parties agreed that major outcomes will be

22. Reference implementation of Query standard hosted by integrator for a period of 6 months

23. A public data set to be used in testing

24. An example of a hosted ELN.

25. Demonstration of the query standard used to extract data from the hosted ELN populating a database which can be queried by the reference implementation.

26. To demonstrate and iterate the existing draft ELN query standard to a form for publication

27. To demonstrate how a hosted ELN solution can pass data back to an appropriately structured datamart using the query standard response as the data package.

29. Chair: TBD

30. Steering Committee: all participants investing in the project (money, resources, time).

31. Funding from at least 6 Pharma participants.

32. Vendor participation to generate Connectors to the standard

35. Query standard reference implementation showing federated query in place by Q4 2011.

36. Agreed data transfer between hosted solutions and marts by Q42011

38. Not enough buy-in from Pharmas and vendors

39. Not enough funding to complete delivery

40. Demonstration of a scalable solution for an ELN query standard that will search across multiple data sets and vendor products.

41. Demonstrate a possible architecture for a hosted ELN solution using the query standard to move information to a mart, also queried by the standard

42. Publication of ELN data query standard after iteration from lessons learned from implementation.Key Milestones (DRAFT example only) Q3 11 Mar 11 Q2 11 Q1 12 Q4 11 M Board Approval Pilot Kick-off M V1.0 March 2011

43. Pistoia Strategy Chemistry Externalization Processes

44. Chemistry Externalization Processes ‘Synthesis in Shanghai, screening in Singapore’ Compounds are now being synthesised remote from screening sites. Physical samples do not always return to requestor before screening and may need to cross international borders. How can a Pistoia standards help with requesting, tracking and results gathering?

45. Chemistry Externalization Processes

46. Chemistry Externalization Processes Six points of data transfer

47. Chemistry Externalization Processes Three transfers of physical sample Six points of data transfer

48. How can Pistoia facilitate this process? Programme of work to…. Agree standard cross partner (Pharma/CRO/Alliance etc) processes Agree standards for data tracking and exchange Agree standards for physical sample tracking and common approaches to licensing requirements for cross-border shipping Explain Path to Value Produce proposed project charter Get funding…….

49. Value Path to value. Shared needs Common requirements Standards Solutions / Services Easy plug & play (integration) Lower cost of operation More functionality Document requirements Commit to adoption of solution & standards Participate in definition of standards Adopt standards Prefer compliant solutions Reject non-compliant solutions? Document shared use cases Agree on priorities Commit resources Buyer Provide common user stories. Technology agnostic Participate in definition of standards Publish standards Drive adoption Identify provider(s) Assess compliance of solutions/services Provide ‘label’ for compliant solutions/services Provide forum for discussion Surface/present opportunities for collaboration Mission accomplished Broker Understand requirements (possibly participate in generation) Participate in definition of standards Adopt standards Offers compliant solutions/services that meet requirements Maintain/operate Assess feasibility of transactional services provision Creates new Business Opportunities Provider

51. Specifically:

52. Common use cases for compound ordering, identification of reagents, compound ordering and shipping of materials to and from the externalization partner.

53. Process descriptions for the transfer of chemical and experimental information to and from the externalization partner

54. Synthetic chemistry is increasing being externalized to remote geographies by large pharmaceutical companies looking to reduce costs.

55. The lack of well defined standard processes between externalization partners can result in delays in the necessary information and materials transfers across the interfaces in the shared workflow.

56. Collaboration between chemists in the respective partners could be improved by greater visibility of key information & knowledge transfer at critical stages on the synthetic process.

57. A less than optimal exchange of physical assets during the process can lead to inefficiency that may impact on the quality of the final product and the speed of shipping it to customers.

58. Development of a project team of interested parties.

59. All parties agreed of major outcome is a document that includes:

60. Use Cases

61. Process Descriptions

62. IP and data ownership policy recommendations

63. Import / Export licencing regulations

64. Agreed areas of focus limited to chemical synthesis in the first instance.

65. All parties prepared to submit exemplar use cases for documentation.

66. All parties to review existing ‘standards’ and make recommendations on their use within this initiative

68. Chair: TBD

69. Steering Committee: all participants investing in the project (money, resources, time).

70. Low level funding, time/input from members will be critical.

73. Improved visibility and usability of shared information and data.

74. Reduced externalization initiation costs and minimal impact on externalization partner’s infrastructure.

76. Agreed use case and standard processes document generated by end Q4 2011.

77. Clear picture of feasibility from all stakeholders and >66% of partners interested in developing a service standard for Chemistry Externalization.

78. Simplification of synthetic business process externalization.

79. Clarity of data ownership paramount in line with legal strictures of collaboration agreements.

80. Lack of CRO participation would affect perceived value of deliverables.Key Milestones (Draft Exampel only) Q3 11 Mar 11 Q2 11 Q1 12 Q4 11 Pilot Planning & Recruitment M Board Approval Resourcing Pilot Kick-off M Execution V1.1 March 2011 Next Phase

81. Discussion The Two ideas presented are to be taken into a round of funding with members. There is no shortage of ideas. Do these ideas resonate? Are there other Chemistry enablers that you see as more important?

82. Questions ?