engaging participation from the chemistry community

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Engaging Participation from the Chemistry Community Antony Williams February 18 th 2013

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I was invited to give a presentation regarding how we have engaged chemists in crowdsourcng chemistry. The presentation was to the Board on Mathematical Sciences and Their Applications within the National Research Council. It was very educational for me to attend the meeting and interesting to observe so many of the common challenges.

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Page 1: Engaging participation from the chemistry community

Engaging Participation from the Chemistry Community

Antony WilliamsFebruary 18th 2013

Page 2: Engaging participation from the chemistry community

Crowdsourcing Chemistry How have I personally “crowdsourced chemistry” What have we done to enable the crowd to

participate? What is the Royal Society of Chemistry doing to

facilitate crowdsourcing? What are the benefits of encouraging involvement? And how big is the crowd??? What are our intentions moving forward? Lessons from our experiences and experiments

Page 3: Engaging participation from the chemistry community

Personal Contributions

Page 4: Engaging participation from the chemistry community

Wikipedia

Page 5: Engaging participation from the chemistry community

Does one stereocenter matter?

Thalidomide

Page 6: Engaging participation from the chemistry community

Validating Public Datasets

Page 7: Engaging participation from the chemistry community

Challenging the Status Quo

Page 8: Engaging participation from the chemistry community

With Great Fanfare…

Page 9: Engaging participation from the chemistry community

NPC Browser http://tripod.nih.gov/npc/

Page 10: Engaging participation from the chemistry community
Page 11: Engaging participation from the chemistry community

NPC Browser http://tripod.nih.gov/npc/

Page 12: Engaging participation from the chemistry community

What is the Structure of Vitamin K1?

Page 13: Engaging participation from the chemistry community

Wolfram Alpha

Page 14: Engaging participation from the chemistry community

DailyMed

Page 15: Engaging participation from the chemistry community
Page 16: Engaging participation from the chemistry community

The World of Online Chemistry Safety data Toxicity data Blogs and Wikis Property databases Experimental results Scientific publications Compound aggregators Open Notebook Science Metabolic pathway databases Encyclopedic articles (Wikipedia)

Page 17: Engaging participation from the chemistry community

Public Domain Databases

Our databases are a mess…

Non-curated databases are proliferating errors

We source and deposit data between databases

Original sources of errors hard to determine

Curation is time-consuming and challenging

Page 18: Engaging participation from the chemistry community

What you might not know about Chemistry Databases on the Internet Data-sharing between the databases is cyclic –

proliferating errors – “Linked Data”

Page 19: Engaging participation from the chemistry community

Stop Whining – Fix it

Page 20: Engaging participation from the chemistry community

Enable the crowd to participate….

Page 21: Engaging participation from the chemistry community

We Want to Answer Questions

Questions a chemist might ask… What is the melting point of n-heptanol? What is the chemical structure of Xanax? Chemically, what is phenolphthalein? What are the stereocenters of cholesterol? Where can I find publications about xylene? What are the different trade names for Ketoconazole? What is the NMR spectrum of Aspirin? What are the safety handling issues for Thymol Blue?

Page 22: Engaging participation from the chemistry community

Available Information…

Linked to vendors, safety data, toxicity, metabolism

Page 23: Engaging participation from the chemistry community

Available Information….

Page 24: Engaging participation from the chemistry community

Crowdsourced “Annotations”

Users can add Descriptions/Syntheses/Commentaries Links to PubMed articles Links to articles via DOIs Add spectral data Add Crystallographic Information Files Add photos Add MP3 files Add Videos

Page 25: Engaging participation from the chemistry community
Page 26: Engaging participation from the chemistry community

Crowdsourced Curation

Crowdsourced curation: identify/tag errors, edit names, synonyms, identify records to deprecate

Page 27: Engaging participation from the chemistry community

Search “Vitamin H”

Page 28: Engaging participation from the chemistry community

“Curate” Identifiers

Page 29: Engaging participation from the chemistry community

“Curate” Identifiers

Page 30: Engaging participation from the chemistry community

Why are Dictionaries important?

Page 31: Engaging participation from the chemistry community

The Final Search Strategy

Page 32: Engaging participation from the chemistry community

Originally 15 compounds “called” Yohimbine54 Skeletons for Yohimbine

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Community Contribution to ChemSpider

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www.SpectralGame.comhttp://www.jcheminf.com/content/1/1/9

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Curation through “gaming”

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Data Curation

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True Curation of Data

Page 38: Engaging participation from the chemistry community

Mobilizing the Community

Page 39: Engaging participation from the chemistry community

ChemSpider SyntheticPages

Page 40: Engaging participation from the chemistry community

ChemSpider SyntheticPages

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Submission Process Crowdsourced expansion?

A few regular dedicated authors only Online peer review and feedback small but useful

Page 42: Engaging participation from the chemistry community

Crowdsourcing – does it work?

~200 people EVER have deposited or curated data

ChemSpider SyntheticPages small group of authors

Database hosts make the largest contributions

ChemSpider staff tend to do the most curation

Page 43: Engaging participation from the chemistry community

Contributions

Page 44: Engaging participation from the chemistry community

Curations

2009 – 8255 curations by 43 people

2010 – 10014 curations by 66 people

2011 – 16025 curations by 116 people

“Crowdsourcing” – the crowd is small!

Page 45: Engaging participation from the chemistry community

www.SciMobileApps.com

8 contributors only…in 7 months

Page 46: Engaging participation from the chemistry community

www.SciDBs.com

7 contributors only…in 6 months

Page 47: Engaging participation from the chemistry community

www.ScientistsDB.com

38 contributors …in 6 weeks

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How will it improve?

Participation and

contribution

Page 49: Engaging participation from the chemistry community

What encourages participation?

“Interested” parties contribute

Marketing and self-promotion are primary reasons for participation

There are very few “selfless” participants

Relationships garner contributions…

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How do “we” measure a scientist? The funding bodies, department heads etc. use

Publication profile Impact factors An index – h, m, g, i10, c, s … Grants brought in

The Measure of a Scientist?

Page 51: Engaging participation from the chemistry community

Scientists Profiles

Page 52: Engaging participation from the chemistry community

How do “we” measure a scientist? The funding bodies, department heads etc. use

Publication profile Impact factors An index – h, m, g, i10, c, s … Grants brought in

Scientists are notable in MANY different ways Technology can help measure different types of

“impact”

The Measure of a Scientist?

Page 53: Engaging participation from the chemistry community

The Alt-Metrics Manifesto http://altmetrics.org/manifesto/

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ImpactStory

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ImpactStory

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PlumAnalytics

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Rewards and Recognition

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Wikipedia Badges and Barnstarshttp://en.wikipedia.org/wiki/Wikipedia:BADGE

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ChemSpider SyntheticPages Awards

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Lessons The “crowd” of contributing participants is likely

quite small – there are selfless participants and others who might want recognition

How will you recognize participation – what are the rewards and recognition??? “Altmetrics” is likely a valuable path moving forward

Gaming is an opportunity for participation Educators are encouraging participation – look to

the success of Wikipedia

Page 61: Engaging participation from the chemistry community

Thank you

Email: [email protected] Twitter: ChemConnectorPersonal Blog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams