Slides for burroughs wellcome foundation ajw100611 sefinal


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Talk given to Burroughs Wellcome Fund - with Antony J Williams.

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  • And also all academic institutions…and government labs…and….
  • Added Massive collaboration networks – software enabled. We are in “Generation App”. Crowdsourcing will have a role in R&D. Drug discovery possible by anyone with “app access”
  • Do you have a better image of the article than the proofs with pink edits? Remove MMI stuff…too much of a sell job I believe…
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  • Slides for burroughs wellcome foundation ajw100611 sefinal

    1. 1. Open Science Landscape: One Future for Scientific Research? Sean Ekins, Ph.D., D.Sc. Collaborations in Chemistry, Fuquay-Varina, NC. Antony J. Williams, Ph.D., Royal Society of Chemistry, Wake Forest, NC. Slides for Burroughs Wellcome Foundation
    2. 2. Open Drug Discovery <ul><li>Pharma Companies spend >$50 billion annually on R&D </li></ul><ul><li>How much historical data/knowledge/information is in the public domain? And where is it? </li></ul><ul><li>How much generated data is truly competitive? </li></ul><ul><li>Pre-competitive and public domain data could deliver high value to drug discovery </li></ul><ul><ul><li>Data mining </li></ul></ul><ul><ul><li>Model-building </li></ul></ul><ul><ul><li>Integrating into in-house and online systems </li></ul></ul><ul><ul><li>There has to be a better way? </li></ul></ul>
    3. 3. How to do it better? Openness What can we do with software to facilitate it ? Make it Open The future is more collaborative and Open We have tools but need integration Open interfaces <ul><li>Groups involved traverse the spectrum from pharma, academia, not for profit and government </li></ul><ul><li>More free, open technologies to enable biomedical research </li></ul><ul><li>Precompetitive organizations, consortia.. </li></ul>A Starting Point For a New Era?
    4. 4. Major collaborative grants in EU: Framework, IMI …NIH moving in same direction Cross continent collaboration CROs in China, India etc – Pharma’s in US / Europe More industry – academia collaboration and ‘not invented here’ a thing of the past More effort to go after rare and neglected diseases -Globalization and connectivity of scientists will be key – Current pace of change in pharma may not be enough. Need to rethink how we use all technologies & resources… Collaboration and Openness is Key
    5. 5. Data, Models and Software Becoming More Accessible- Free, Precompetitive and Open Efforts - Collaboration
    6. 6. Could All Pharmas Share Their Data?
    7. 7. <ul><li>Improved Quality of data is essential </li></ul><ul><li>Open PHACTS : partnership between European Community and EFPIA </li></ul><ul><li>Freely accessible for knowledge discovery and verification. </li></ul><ul><ul><li>Data on small molecules </li></ul></ul><ul><ul><li>Pharmacological profiles </li></ul></ul><ul><ul><li>ADMET data </li></ul></ul><ul><ul><li>Biological targets and pathways </li></ul></ul><ul><ul><li>Proprietary and public data sources. </li></ul></ul>
    8. 8. What You Might Not Know About Chemistry Databases On The Internet <ul><li>Data-sharing between open databases is cyclic </li></ul><ul><li>This can proliferate errors in the “Linked Data” </li></ul>
    9. 9. Government Databases Should Come With a Health Warning Openness Can Bring Serious Quality Issues NPC Browser Database released and within days 100’s of errors found in structures Williams and Ekins, DDT, 16: 747-750 (2011) Science Translational Medicine 2011
    10. 10. Tools for Open Science <ul><li>Blogs </li></ul><ul><li>Wikis </li></ul><ul><li>Databases </li></ul><ul><li>Journals </li></ul><ul><li>What about Twitter, Facebook, could these be used for social collaboration, science? </li></ul>
    11. 11. Example of Social Collaboration in Science: Tweets, Blog Lead to The Green Solvents App Sean attends seminar on solvent selection guide Sean tweets during talk Mobile App developer Alex Clark responds to twitter and along with Sean Ekins, Antony Williams start an email discussion about Green Chemistry apps Sean blogs. 3 days later an App is created By Alex
    12. 12. Free Sources of Molecules & Physicochemical Properties <ul><li>ChemSpider </li></ul>
    13. 13. Open Algorithms, Descriptors, Closed Data – Can We Unlock It? Gupta RR, et al., Drug Metab Dispos, 38: 2083-2090, 2010
    14. 14. Pfizer Merck GSK Novartis Lilly BMS Could combining models give greater coverage of ADME/ Tox chemistry space and improve predictions? Lundbeck Allergan Bayer AZ Roche BI Merk KGaA What Will It Take For Companies, Academics, Government Labs To Realize They Could Gain More By Sharing More?
    15. 15. Inside Company Collaborators Inside Academia Collaborators Molecules, Models, Data Molecules, Models, Data Inside Foundation Collaborators Molecules, Models, Data Inside Government Collaborators Molecules, Models, Data IP IP IP IP Shared IP Collaborative platform/s Bunin & Ekins DDT 16: 643-645, 2011 A Complex Ecosystem Of Collaborations: A New Business Model
    16. 16. 2020: A Drug Discovery Odyssey Could our Pharma R&D look like this Massive collaboration networks – software enabled. We are in “Generation App”. Crowdsourcing will have a role in R&D. Drug discovery possible by anyone with “app access” Ekins & Williams, Pharm Res, 27: 393-395, 2010.
    17. 17. Mobile Apps for Drug Discovery: Could They Facilitate Open Science? Williams et al DDT in press 2011 What if anyone could do the same to practice open science?
    18. 18. Open Science: What is needed <ul><li>Coordinated effort to clean up chemistry related data, certainly on the internet </li></ul><ul><li>Open tools – need good validation studies many developed with no support </li></ul><ul><li>Support those scientists making data open (e.g. J.C. Bradley) </li></ul><ul><li>Support companies/groups promoting software for data sharing </li></ul><ul><li>Lobby grant providers to require that grantees deposit data in public domain. Make data quality a criterion for funding </li></ul><ul><li>Novel approaches to drug discovery & not what has already failed in Pharma </li></ul><ul><li>Engage the community to help create what they want. Rewards and recognition? - MORE collaboration can benefit us all </li></ul><ul><li>Give those that have been let go by industry another route to discovery – materials, drugs, technologies </li></ul>
    19. 19. Open Science: The Landscape <ul><li>Currently few scientists practice ONS – so we need to change this </li></ul><ul><li>Missing an open database system for storing/sharing data globally </li></ul><ul><ul><li>Commercial versions exist </li></ul></ul><ul><li>Currently few Open journals – cost may be prohibitive to many </li></ul><ul><li>How do we measure scientists contributions via Open Science </li></ul>Now Future Open Science
    20. 20. Thank You Email: Twitter: collabchem Blog: Slideshare: Email: Twitter: ChemConnector Blog: Slideshare: Many thanks to our collaborators In the long history of human kind (and animal kind, too) those who have learned to collaborate and improvise most effectively have prevailed. Charles Darwin