Science Online 2011 ONS session
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Transcript of Science Online 2011 ONS session
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Open Notebook Science Session
Jean-Claude Bradley
E-Learning Coordinator College of Arts and Sciences
Associate Professor of ChemistryDrexel University
January 15, 2011
Science Online 2011
Carl Boettiger Antony Williams
ChemSpiderRoyal Society of
Chemistry@ChemConnector
UC DavisEcology & Evolution
@cboettig
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Motivation: Faster Science, Better Science
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There are NO FACTS, only measurements embedded
within assumptions
Open Notebook Science maintains the integrity of data
provenance by making assumptions explicit
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TRUST
PROOF
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Crowdsourcing Solubility Data
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Data provenance: From Wikipedia to…
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…the lab notebook and raw data
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Calculations Made Public on Google Spreadsheets
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Solubilities collected in a Google Spreadsheet
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Rajarshi Guha’s Live Web Query using Google Viz API
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Web services for summary data
(Andrew Lang)
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Web service calls from within a Google Spreadsheet for solubility measurement and
prediction
(Andrew Lang)
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Integration of Multiple Web Services to Recommend Solvents for Reactions
(Andrew Lang)
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Reaction Attempts Book
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Reaction Attempts Book: Reactants listed Alphabetically
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Lulu.com Data Disks
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Visualizing molecule-researcher connection maps reveals link between 2 Open Notebooks (Todd
and Bradley)
(Don Pellegrino)
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The Chemical Information Validation Sheet
567 curated and referenced measurements from Fall 2010 Chemical Information Retrieval course
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The Chemical Information Validation Explorer
(Andrew Lang)
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Discovering outliers for melting points (stdev/average)
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Investigating the m.p. inconsistencies of EGCG
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Investigating the m.p. inconsistencies of cyclohexanone
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Sigma-Aldrich, Acros and Wolfram Alpha apparently use the same sources for melting
points
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Sigma-Aldrich, Acros and Wolfram Alpha apparently use the same sources for boiling
points
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Sigma-Aldrich, Acros and Wolfram Alpha apparently
DO NOT use the same sources for flash points
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All ONS web services
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Conclusions
•Abstraction of ONS experimental data into a clear semantic format can be done quickly and easily and greatly leverages the utility of the data
•No information is lost as long as a link to the Open Notebook is captured
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