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Open Notebook Science   Jean-Claude Bradley May 14, 2010 OpenSciNY Associate Professor of Chemistry Drexel University
What is a Scientific Precedent? What is a Scientific Publication? What is Peer Review? What is Scholarship?
Asked to Review an Article…
 
 
 
 
 
 
 
 
“ I would never consider a claim made in a patent as blocking an author's claim of novelty.” Langmuir Editor   What is a Scientific Precedent in Academia? What is a Scientific Precedent in Patent Law?
Chemistry Preprint Archive (Elsevier)
What is Scholarship?
What is Peer Review?
The Scandal of Bell’s Lab Notebook
How bad is our current system? Try to find the solubility EGCG?
=2.3 g/L WTF?!
The End of the Chain of Provenance
The NaH oxidation controversy
Information spreads quickly through the blogosphere
15% NMR yield
 
Khalid Mirza and Marshall Moritz
 
Top results on a Google search
Motivation:  Faster Science,   Better Science
Open Notebook Science Logos  (Andy Lang, Shirley Wu) Sharing: how much and when
There are NO FACTS,  only measurements embedded within assumptions Open Notebook Science maintains the integrity of data provenance by making assumptions explicit
TRUST PROOF
The solubility of 4-chlorobenzaldehyde
The Log makes Assumptions Explicit
The Rationale of Findings Explicit
Raw Data Made Public Splatter? Some liquid
YouTube for demonstrating experimental set-up
Calculations Made Public on  Google Spreadsheets
Revision History on  Google Spreadsheets
Wiki Page History
Comparing Wiki Page Versions
Proof of Purity with interactive NMR spectrum using JSpecView and JCAMP-DX
Linking to Molecules in Chemistry Databases
Experimental Spectra and User-Deposited Data on ChemSpider
(Andy Lang, Tony Williams) Open Data JCAMP spectra for education (Andy Lang, Tony Williams, Robert Lancashire)
Database Curation via Game Playing
Over 100,000 spectrum views so far - worldwide
Link Spectral Game to Open Educational Content
The Ugi reaction: can we predict precipitation? Can we predict solubility in organic solvents?
Crowdsourcing Solubility Data
ONS Submeta Award Winners
ONS Challenge Judges
Teaching Lab: Brent Friesen (Dominican University)
Solubility Experiment List
Solubilities collected in a Google Spreadsheet
Rajarshi Guha’s Live Web Query using Google Viz API
WE ARE HERE How can the scientific process become more automated?
Semi-Automated Measurement of solubility via web service analysis of JCAMP-DX files  (Andy Lang)
Solubility Measurement Requests:  DoSol sheet ,[object Object],[object Object],[object Object],[object Object]
Understanding in addition to empirical modeling Missed in a prior publication on solubility for this compound
Data provenance:  From Wikipedia to…
… the lab notebook and raw data
Including links to the literature
[object Object],[object Object],[object Object],How does Open Notebook Science fit with traditional publication?
Paper written on Wiki
References to papers, blog posts, lab notebook pages, raw data
Paper on Journal of Visualized Experiments (JoVE)
Pre-print on Nature Precedings
ChemSpider Automated Mark-up of Chemical Names
BUT… Open Access: the Choice that Keeps Giving.. and Giving…
Beware of your addiction to metrics: redundancy will reduce them
Cameron Neylon’s Notebooks Other Open Notebooks
Anthony Salvagno’s Notebook (Steve Koch group)
Archiving and Libraries ,[object Object],[object Object],[object Object]
Librarians and Science 2.0 "The Internet Archive is a 501(c)(3) non-profit that was founded to build an Internet library, with the purpose of offering permanent access for researchers, historians, and scholars to historical collections that exist in digital format." The internet Archive is not practical for practitioners of  Open Notebook Science  or  Science 2.0 
Good concept but.....
Most pages look like this....
Where We Began: The ONS backup spreadsheet and ONSPreserver
Publishing Google Spreadsheets as XLS
ONSArchive: Semi-Automated Snapshot of the Entire Scientific Record
Snapshot is Self-Contained and  Live on the Internet
Lulu.com Data Disks
DSpace – Handle (hdl)
Bradley, Jean-Claude; Lang Andrew. Solubilities Summary Sheet. Open Notebook Science Challenge. 2009-12-11. URL:http://spreadsheets.google.com/pub?key=plwwufp30hfq0udnEmRD1aQ&output=xls. Accessed: 2009-12-11. (Archived by WebCite® at  http://www.webcitation.org/5lx5ry3BV )
Lulu.com - ISBN Google Spreadsheets Google Documents Web Services ChemSpider & Indiana Real Time Linear Regression, Unit Conversions, Style Sheet, etc Data Book
 
 
Solubility Prediction (Andy Lang uses Abraham Model)
Reaction Attempts Book
Reaction Attempts Book: Reactants listed Alphabetically
For all Formats of ONS Projects
Conclusions ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]

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