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
Putting chemistry into the hands of students – chemistry made mobile using resources from the Royal Society of Chemistry
1. Putting chemistry into the hands of
students – chemistry made mobile
using resources from RSC
Antony Williams, Valery Tkachenko, Alexey Pshenichnov,
Will Russell and Alex Clark
ACS Philadelphia August 2012
2. Mobilizing Chemistry and
“Generation App”
Chemistry has gone Mobile..
Read Publications
Access databases
Perform calculations
Draw chemicals
Retrieve reactions
Tap into the ever-increasing cloud of data…
For students “Chemistry in the Hand” is to be
expected….
3. Scientific Publishers Apps
Scientific publishers release apps to:
Provide mobile access to content
Search and deliver content to its registered users
and engage other possible users
Greater accessibility means greater readership
Revenue generation from the content, not the app
6. Data and Chemical Dictionaries
Apps are ideal for delivering reference data
Data collections include
Elements
Lists of chemicals
Drugs and Medications
Public domain data delivered via App interfaces
OR via Mobile-Optimized websites. Or Linked…
8. RSC|ChemSpider
Structure entry as an entry point to:
Calculations (formula, mass)
Predictions (local or server-based)
Systematic name generation, logP, pKa, NMR
prediction, etc.
Database lookup
On device dictionaries (because space doesn’t
matter!)
Internet-hosted databases (because the latest
content does matter)
16. Chemical Reactions
Chemical reactions can be served up on mobile
What is available now?
Teaching basics of chemical reactions
Look-ups against reaction databases
Reaction mechanisms
31. Sourcing information about SciApps
So, there are lots of Science Apps
Different platforms, different versions
How do you find them?
Where can developers post information about
their apps? NOT Wikipedia!
32. Sourcing information about SciApps
http://www.scimobileapps.com/
Where can developers post information about
their apps? NOT Wikipedia!
iTunes does not segregate based on science
SciMobileApps Wiki…
33. There’s a lot of Mobile Chemistry!
Categorization of chemistry apps.
35. Chemistry eBooks
The future of the Chemistry eBook…next year then?
eBooks already link to computational engines
3D rotating molecules are expected – stereoscopic
viewing will become standard?
Kinect type interface for a tablet?
Interactive graphing – data mine public websites to
include data
Direct model generation and prediction
And….
36. Conclusions
How many students do not have smartphones?
How long before Tablets are primary computers?
Chemistry apps are commonplace
The near future is tomorrow….
Federated data access
More creative tools for collaboration
Hopefully more crowdsourced participation in
mobile-enabled curation and annotation
37. Acknowledgments
RSC Cheminformatics team – Mobile
ChemSpider; Dmitry Ivanov – ChemGoggles
Alex Clark – ChemSpider Mobile
JC Bradley, Andy Lang, Bob Lancashire –
SpectralGame
Kevin Thiesen – ChemDoodle
ACD/Labs – SpectraSchool HTML5 NMR Display
Daniel Lowe – Chemical reactions dataset
Sean Ekins – SciMobileApps wiki