Open Drug Discovery Teams (ODDT): How our Collaboration Led to a New App For

Collaboration

Dr. Sean EkinsCollaborations in Chemistry, A division of Collaborations in

Communications, Inc.

Dr. Alex M. ClarkMolecular Materials Informatics, Inc.

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”

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

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?

So I started sketching on my iPad..

How would we go about finding these teams?

Can we create virtual teams of open researchers – we need a central hub to

integrate open science data

Everything is on the cloud and the App becomes the glue for the team and projects

How the App should look – note the Flipboard inspiration

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

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

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.

Getting to the Free Alpha Version

• Added more topics – Chagas Disease, leishmaniasis

• Added voting• Added Stats page• Added datasheet viewing• ….Find testers

Latest Layout9 Panels includes one on ODDT information

Can use multiple Twitter accounts Here is my icon

Stats summary

About App

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

Browse through multiple pages of tweets

Endorse, Disapprove and Comment

Endorse content or reject it

Recent contents

Click on image to open it

Recent isfactoids with a vote count of +1 or better

Content

Ranked content

Click on image to open it

Content is currently anything with a votecount of +1 or better, sorted by most popular first

Tap on a link or image

Be able to download content

Look at your own statistics

Exposing rare diseases – creating communities of research and sparking discussion

My tweets on recent analyses and ideas

My Retweets

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

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?

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 ODDTPhoto for San Fillipo Syndrome courtesy

of Jill Wood www.jonasjustbegun.org

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_Drug_Discovery_Teams

And frequent blogs at http://www.collabchem.com and http://cheminf20.org/

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