For the majority of chemists driven to share their data openly Jean-Claude (JC) Bradley will forever be the father of Open Notebook Science (ONS). Having coined the term in 2006 JC spent the next few years working to educate us in the ONS philosophy, developing tools, systems and even games for the community. This presentation will provide an overview of JC’s contributions to Open Notebook Science by examining some of the various projects that he conducted with his students and collaboratively. The outcome of the work he led includes a number of open datasets that have been used by scientists around the world, online prediction models that are accessible to anyone, games that have been played by thousands of scientists and an enormous collection of presentations, video tutorials and Open Courseware that will likely be references for the Open Notebook Science movement for many years to come.

1. Contributions of Jean-Claude Bradley
to the vision and execution of
Open Notebook Science
Andrew SID Lang, Oral Roberts University
Antony J Williams, ChemConnector

2. Why Open?

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

6. Open Source Science >>

7. Open Notebook Science
Influenced by: Peter Murray-Rust & Beth Ritter-Guth
http://drexel-coas-elearning.blogspot.com/2006/09/open-notebook-science.html

8. Open Notebook Science
Jean-Claude Bradley
Dec 11, 2008
NIST
Associate Professor of Chemistry
Drexel University

9. 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”

10. 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.

11. 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

12. Motivation: Faster Science, Better Science

13. Where is Science headed?
WE ARE HERE

14. There are NO FACTS,
only measurements embedded
within assumptions
Open Notebook Science maintains
the integrity of data provenance by
making assumptions explicit

15. TRUST
PROOF

16. 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

17. 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

18. Where is Science headed?
WE ARE HERE

19. Open Notebook Science >>

20. • He gave soooooo much early feedback on how ChemSpider
could serve the community – the first advisory group member
• For ChemSpider he contributed his students to perform
crowdsourced curation and annotation
• JC tapped into ChemSpider a lot for validated data and
integration to his ONS wikis
• He deposited data onto ChemSpider so we could link directly
• His Open Notebook Science data was made available to over
10,000 scientists a day via ChemSpider
JC took.. and he GAVE AWAY

21. Feeding ONS MP Data into ChemSpider
 ONS data deposited into ChemSpider and linked out to ONS pages

23. Feeding ONS Sol. Data into ChemSpider
 ONS Solubility Challenge

24. Linking to ONS Data from ChemSpider

25. Building Teaching Tools
• JC loved to use technology to TEACH. He used freely
available tools to do so – including ChemSpider services

26. ChemSpider Spectra

27. www.SpectralGame.com
http://www.jcheminf.com/content/1/1/9

28. Collaborations in Openness
• JC believed in HIGH-QUALITY data
• He invested himself, and his students, in validating,
checking and re-measuring data
• He demanded openness of data, free of restrictions and
constraints
• Do his efforts make a difference???

29. Supporting Open Data

30. JC and Drug Discovery
• JC cared passionately about neglected disease research
• Many of our conversations were around better data-sharing
for the various groups
• We continue in our mission to help…

31. Journal of Cheminformatics Issue
 Seven articles already published and three more in the
pipeline. Submit yours before the end of the year!