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The Revelation of Jean-Claude Bradley

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Abstract: Jean-Claude Bradley blazed a trail that many of us have followed. A true visionary, a dreamer of dreams, but what was his motivation? What was the goal he was striving towards? What was his vision of the future and why was Open Notebook Science a part of that vision? I will present Jean-Claude's work, from coining the phrase 'Open Notebook Science' to his latest project 'Chemical Rediscovery,' through the lens of defining the future for Open Notebook Science.
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  • 1. The Revelation of Jean-Claude Bradley for the Jean-Claude Bradley Memorial Symposium Cambridge University - Monday July 14, 2014
  • 2. Why?
  • 3. Q: Why did you decide to adopt an open approach? A: In thinking about what has meaning for me as a scientist, I realized that the work I was doing wasn’t having the kind of impact that I would like it to have, and it was not benefitting mankind in the way I would have hoped. I concluded that this was partly a consequence of secrecy. However, I couldn’t be open with the project I was then working on, because I was collaborating with someone who didn’t feel the same way as me. My decision to do open science meant cutting ties with my previous collaborators. Having done that in 2005, I started the project UsefulChem. http://www.infotoday.com/it/sep10/Poynder.shtml Interview With Jean-Claude Bradley The Impact of Open Notebook Science by Richard Poynder
  • 4. Open Source Science
  • 5. Open Source Science >>
  • 6. Open Notebook Science Influenced by: Peter Murray-Rust & Beth Ritter-Guth http://drexel-coas-elearning.blogspot.com/2006/09/open-notebook-science.html
  • 7. Open Notebook Science Jean-Claude Bradley Dec 11, 2008 NIST Associate Professor of Chemistry Drexel University
  • 8. Open and Closed Science Traditional Lab Notebook (unpublished) Traditional Journal Article Open Access Journal Article Open Notebook Science (full transparency) CLOSED OPEN Traditional Paper Textbook F2F lectures Lectures Notes public Assigned problems public Archived Lectures Public and free online textbooks RESEARCH TEACHING
  • 9. Motivation: Faster Science, Better Science
  • 10. Where is Science headed? WE ARE HERE
  • 11. There are NO FACTS, only measurements embedded within assumptions Open Notebook Science maintains the integrity of data provenance by making assumptions explicit
  • 12. TRUST PROOF
  • 13. Open Notebook Science Challenge Co-conceived with Cameron Neylon https://www.flickr.com/photos/24801682@N08/2824469941/ http://usefulchem.blogspot.com/2008/09/open-notebook-science-challenge.html
  • 14. 359 ONS Experiments 4,640 CC0 non-aqueous solubilities 28,645 CC0 melting points http://figshare.com/articles/Jean_Claude_Bradley_Open_Melting_Point_Datset/1031637
  • 15. Where is Science headed? WE ARE HERE
  • 16. There are NO FACTS, only measurements embedded within assumptions Open Notebook Science maintains the integrity of data provenance by making assumptions explicit
  • 17.  First recrystallized in ethyl acetate in 1906. Straus and Ecker, Ber. 39, 2988 (1906)  Recrystallized in ethyl acetate in Organic Syntheses
  • 18.  Recommended recrystallization solvent: ethyl acetate. (http://classes.kvcc.edu/chm230/mixed%20aldol%20condensation.pdf (http://www.xula.edu/chemistry/documents/orgleclab/Aldol_notes.pdf)
  • 19. Enter compound identification and desired parameters
  • 20. Lists solvents and their predicted recrystallization yield. Prediction is generated by the temperature dependent solubility curves.
  • 21. The Chemical Rediscovery Survey and the role of Openness in Chemistry Jean-Claude Bradley March 6, 2014 Research Mini-Symposia Associate Professor of Chemistry Drexel University Drexel University Department of Chemistry
  • 22. The current paradigm of doing and sharing science in chemistry 1. Design experiments based on established or potentially new theories. 2. Execute and record experimental outcomes in private notebooks. 3. When a sufficient narrative emerges selective experimental data are combined to publish, with a limited amount of “supplementary supporting data”
  • 23. What kind of (chemical) worldview has this approach created? 1. Selective bias towards which experiment are even attempted. 2. Overconfidence in our understanding since deviant or ambiguous results are rarely reported.
  • 24. Filling in the blind spots with the Chemical Rediscovery Survey (chemrs.wikispaces.com) 1. Randomize the mixture of chemicals with certain criteria* 2. Identify “what happens” after convenient* periods of time. 3. Follow up on unexpected behavior with the traditional scientific method. 4. Openly share the entire process, including all raw data and preliminary hypotheses and discoveries as it happens.
  • 25. Open Notebook Science >>
  • 26. Intelligent System Open Notebook Science
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