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ODDT - open drug discovery teams for collaboration

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Short overiew showing ODDT a new mobile app in alpha for open drug discovery teams. Illustration of genesis and development so far.

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ODDT - open drug discovery teams for collaboration

  1. 1. Open Drug Discovery Teams (ODDT): How our Collaboration Led to a New App For Collaboration Dr. Sean Ekins Collaborations in Chemistry, A division of Collaborations in Communications, Inc. Dr. Alex M. Clark Molecular Materials Informatics, Inc.
  2. 2. When Given a New Challenge How do You Respond? • Mid January Pistoia Alliance Ask for volunteers to present in a Dragon’s Den Scenario Feb 8th at the RSC • Ideas that will transform Pharma R&D in 2014 • So my natural response was : “If I am going to take part I want to create something real”
  3. 3. Why it is time to transform R&D – This is just one disease! • Tuberculosis Kills 1.6-1.7m/yr (~1 every 8 seconds) equivalent to malaria • 1/3rd of worlds population infected!!!! • Extensively drug resistant increasing incidence • No new drugs in over 40 yrs • Drug-drug interactions and Cc-morbidity with HIV • Recent years have seen increased investment from Bill and Melinda Gates Foundation (BMGF) etc. • But no impact on new clinical candidates except from pharma • Pipeline is thin and weak • No data sharing on the scale of malaria • Open Source effort in India (OSDD) but no real international traction • Disconnected efforts - CDD, Pharmas, Academia, NIH • BMGF & NIH do not coordinate TB efforts, not mandating open data. – Result data hoarding – still not learning from failure – thousands of compounds screened and not accessible
  4. 4. Inspiration • There are many 1000s of diseases and few with cures • Science Online 2012 on open notebooks and data overload • Flipboard • Could we create an app for science like Flipboard?
  5. 5. So I started sketching on my iPad..
  6. 6. How would we go about finding these teams?
  7. 7. Can we create virtual teams of open researchers – we need a central hub to integrate open science data
  8. 8. Everything is on the cloud and the App becomes the glue for the team and projects
  9. 9. How the App should look – note the Flipboard inspiration
  10. 10. Sounding Boards are Very Important • Antony J. Williams VP, Strategic development for ChemSpider at the Royal Society of Chemistry. • Alex M. Clark is the founder of Molecular Materials Informatics, Inc. • Alex said he could build the App
  11. 11. Within about 10 days Alex Created ODDT to present at the Pistoia meeting Focused on Tuberculosis, Malaria, HIV/AIDS, Huntington’s Disease, Sanfilippo Syndrome, and Green Chemistry as topics in version 1 We did not win the competition but had useful feedback – the need to articulate the value proposition
  12. 12. The Value Proposition • The project is intended to bring together open data in a single aggregated collection, and then facilitate forming open research teams around this data • Disseminate important information to a highly relevant target audience • Network and discover other researchers with complementary interests, and opportunities to collaborate • Team members will be able to borrow and reuse a growing collection of existing Open data. • The community as a whole can debate, contest or endorse data based on its quality. • The app could also be used as a type of “lab notebook” whereby individual researchers share links (URLs) to content and the app aggregates these.
  13. 13. Getting to the Free Alpha Version • Added more topics – Chagas Disease, leishmaniasis • Added voting • Added Stats page • Added datasheet viewing • ….Find testers
  14. 14. Latest Layout 9 Panels includes one on ODDT information Can use multiple Twitter accounts Here is my icon Stats summary About App
  15. 15. Tap on a panel and look at Incoming contents Click here to endorse or disapprove Click here to follow hyperlink Incoming is sorted by time of creation
  16. 16. Browse through multiple pages of tweets
  17. 17. Endorse, Disapprove and Comment
  18. 18. Endorse content or reject it
  19. 19. Recent contents Click on image to open it Recent is factoids with a vote count of +1 or better
  20. 20. Content Click on image to open it Ranked content Content is currently anything with a vote count of +1 or better, sorted by most popular first
  21. 21. Tap on a link or image
  22. 22. Be able to download content
  23. 23. Look at your own statistics
  24. 24. Exposing rare diseases – creating communities of research and sparking discussion My tweets on recent analyses and ideas My Retweets
  25. 25. Summary • From idea to alpha testing version in a month • Well on way to delivering a tool for R&D and the general public • Future versions will allow user to specify topics
  26. 26. Coming Soon • Rewards – badges • Image handling – HTML web crawling • Beta version • Presentation at ACS meeting • General release – Post ACS meeting • More ideas that may need funding to cover server etc • - Would you fund us if we posted ODDT on Kickstarter or Petridish.org ?? • Are there sponsors for specific pages or content?
  27. 27. Thank you Alpha testers • Antony J. Williams • Hans De Winter • Chris Swain • Andrew Lang • Carlo Yuvienco • Paul Reinheimer • Michael S. Lajiness • Nancy Connell • Greta Beekhuis • Joe Hupcey III • Freundlich, Joel • Tanya Parrish • Peter Olinga Photo for San Fillipo Syndrome courtesy of Jill Wood www.jonasjustbegun.org ODDT
  28. 28. More Information • Please contact us for further details or suggestions at: aclark@molmatinf.com and ekinssean@yahoo.com • You can learn more about the ODDT app at: http://www.scimobileapps.com/index.php?title=Open_D rug_Discovery_Teams And frequent blogs at http://www.collabchem.com and http://cheminf20.org/
  29. 29. Data to Appify? • If you have Drug Discovery data or ideas that could be turned into an app please let us know • Alex Clark has developed these other Apps
  • TeresaPatel2

    Nov. 27, 2021

Short overiew showing ODDT a new mobile app in alpha for open drug discovery teams. Illustration of genesis and development so far.

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