Delivering on the promise of a chemistry data repository for the world
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The document discusses the importance of creating a global chemistry data repository to integrate historical chemistry, biology, and disease data, emphasizing the need for open access and high-quality data. It highlights the challenges in data quality on the internet, the necessity for recognition and impact measurement for contributors, and the push for public access to data. The pathway forward includes encouraging data deposition, providing open APIs, and enhancing digital literacy among chemists.
Delivering on the promise of a chemistry data repository for the world
- 1. Delivering on the promise of a chemistry data repository for the world Antony Williams Going Native Panel Discussion at the Microsoft eScience Workshop 0000-0002-2668-4821
- 2. A Question to Start… • Who in the room has an ORCID?
- 3. New Horizons…. • Let’s map together all historical chemistry data and build systems to integrate it • Heck, let’s integrate chemistry and biology data and add in disease data too • Let’s model the data and see if we can extract new relationships – quantitative and qualitative • Let’s take what we learn from historical data and build better solutions for modern data • Let’s make it all available on the web…
- 5. What about this…. • We’re going to map the world • We’re going to take photos of as many places as we can and link them together • We’ll let people annotate and curate the map • Then let’s make it available free on the web • We’ll make it available for decision making • Put it on Mobile Devices, give it away…
- 6. Chemistry data is of value? • Reference databases generate hundreds of millions of dollars/euros per year • So much data generated that could go public • Maybe 5% of all data generated is published • There is no “Journal of Failed Experiments” • Funding agencies start to demand Open Data • Scientists want funding but also recognition
- 7. A shift to Openness
- 8. Open Data is here…
- 9. Chemistry data is of value? • Reference databases generate hundreds of millions of dollars/euros per year • So much data generated that could go public • Maybe 5% of all data generated is published • There is no “Journal of Failed Experiments” • Funding agencies start to demand Open Data • Scientists want funding but also recognition • …so who will fund and build the platforms?
- 10. Going Native… speaka da lingo Chemists clearly benefit from accessing data
- 12. What we found… • Data quality on the internet can be very poor • Everyone wants access to high quality data but very few are willing to contribute • The primary concerns for contributors • It needs to be easy • Data licensing • Recognition for contributions
- 13. Recognition: need to have Impact
- 15. National Information Standards Organization and “Altmetrics” http://www.niso.org/apps/group_public/download.php/13295/niso_altmetrics_white_paper_draft_v4.pdf
- 16. Research Outputs • Blogs • Research datasets • Scientific software • Posters and presentations at conferences • Electronic theses and dissertations • Performances in film and audio • Lectures, online classes and teaching activities
- 17. Recognizing Contribution • In order to encourage participation maybe we need to provide recognition of impact • How do we measure impact for: • Performing peer review? • Contributions to more “public platforms”?...
- 19. Wikipedia Chemboxes • http://en.wikipedia.org/wiki/Glucose 19
- 20. Three days of discussion
- 21. Three days of discussion • If you want to understand Wikipedia definitely Go Native and get involved!
- 22. Does ONE bond matter???
- 23. A short intro to chirality
- 24. A short intro to chirality
- 25. Educating chemists in data • Chemists are more likely to know basic HTML over data formats in chemistry • Even international standards for data interchange and standardization are unknown • Standards are ideal for computers to handle
- 26. Can we MAKE Quality Data? • We are building systems for everyone to validate and standardize their data
- 27. Where to host research data? • Containers for chemical compounds, chemical reactions, analytical data, tabular data, etc. • Algorithms for data validation and standardization • Domain specific search technologies • A platform for modeling data • Progressing the RSC Data Repository…
- 28. Compounds
- 29. Reactions
- 30. Analytical data
- 31. Generating models from data
- 32. New Horizons….are here • Let’s map together all historical chemistry data and build systems to integrate it • Heck, let’s integrate chemistry and biology data and add in disease data too • Let’s model the data and see if we can extract new relationships – quantitative and qualitative • Let’s take what we learn from historical data and build better solutions for modern data • Let’s make it all available on the web…
- 33. So we DON’T have to do this…
- 34. EXTRACTED FIGURE ORIGINAL FIGURE
- 35. The path forward • Mesh and aggregate published data • Encourage deposition of RESEARCH data – that will never be published • Provide open APIs for data access • Educate chemists in digital literacy • Funding agencies should mandate data access • Collaboration is key – don’t do it alone
- 36. Thank you Email: williamsa@rsc.org ORCID: 0000-0002-2668-4821 Twitter: @ChemConnector Personal Blog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams