Chemistry in the hand: The delivery of structure databases and spectroscopy gaming on mobile devices

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US Environmental Protection Agency (EPA), Center for Computational Toxicology and Exposure

The proliferation of mobile devices in the form of smartphones and tablet devices has put into our hands computational power and capability previously limited to desktop until recently. Couple this with the connectivity of these devices to the internet and the trend of increased capability and accessibility in smaller devices continues. This presentation will provide an overview of our efforts to provide access on mobile devices to a large chemistry database, ChemSpider, containing over 25 million unique chemical compounds and associated data including patents, publications, properties and analytical data. We will also discuss how, by providing programming interfaces and Open Data, it has been possible to produce a Spectral Game (www.spectralgame.com) for scientists and students to practice their spectral interpretation skills. We will discuss some of the technology hurdles associated with delivering such capabilities to the various mobile platforms and how modern technologies can significantly enhance the user experience.

Technology Education

Chemistry in the hand: The delivery of structure databases and spectroscopy gaming on mobile devices Antony Williams , Jean-Claude Bradley, Andrew S.I.D. Lang Kevin Thiesen and Alex Clark ACS Denver August 29th 2011

There’s a lot of Mobile Chemistry! ,[object Object]

Scientific Publisher Apps (ACS) http://tinyurl.com/ykaprhf

Scientific Publisher Apps (Nature) http://www.nature.com/mobileapps/

SciVerse ScienceDirect http://tinyurl.com/3czq37y

Sciverse Scopus http://www.info.sciverse.com/scopus

Science App http://www.aaas.org/news/releases/2010/1108science_app.shtml

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Chemical Structure Drawing Mobile Molecular Datasheet

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Green Solvent Selection http:// tinyurl.com/3tyau7j

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Named Reactions http://www.synthetiqsolutions.com/named-reactions/

Organic Named Reactions http://tinyurl.com/3d54fvv

ReactionFlash http://tinyurl.com/3nt54w6

Reaction101 http://molmatinf.com/reaction101.html

Yield 101 http://molmatinf.com/yield101.html

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Thank you Email: williamsa@rsc.org Twitter: ChemConnector Blog: www.chemspider.com/blog Personal Blog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams

The increasing prevalence of mobile devices offers the opportunity to provide chemistry students with easy access to a multitude of resources. As a publisher the RSC provides a myriad of content to chemists including an online database of over 26 million chemical compounds, tools for learning spectroscopy and access to scientific literature and other educational materials. This presentation will provide an overview of our efforts to make RSC content more mobile, and therefore increasingly available to chemists. In particular it will discuss our efforts to provide access to chemistry related data of high value to students in the laboratory. It will include an overview of spectroscopy tools for the review and analysis of various forms of spectroscopy data

Chemistry in your hand. Using mobile devices to access public chemistry compo...

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Mobile devices allowing browsing of the internet to access chemistry related data come in many forms: phones, music players and, increasingly, as “tablets” and “pads”. With the “permanently online” connectivity of these mobile devices, the browser now being the default environment for much of our computer-based interactions, and the increasing availability of rich datasets online, the aggregation of these offerings mesh together to provide chemists with the capabilities to query and search for chemistry in ways that were the stuff of science fiction only a few years ago. Using the ChemSpider platform as a foundation, and with the intention of continuing to enable the community to access Chemistry, we have delivered mobile chemistry applications to search across over 24 million compounds sourced from over 400 data sources to retrieve data including properties, spectra and links to patents and publications.

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