Mobile chemistry and "Generation App"

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This presentation was given at #ICIC2011

While the internet has been revolutionizing our access to data and information via our computers, computers have been miniaturizing to the point where a smart phone offers capabilities that many desktops could not deliver less than a decade ago. Mobile browser technology and app-based delivery for software has now delivered into our hands further access to data via phones, pads and tablets. Whether it be in the form of chemical calculators, accessing publishers websites or public domain databases containing millions of chemical structures, mobile chemistry is here and is expanding in capability and coverage at a dramatic rate. This presentation will review the status of mobile devices and how they are being used to enable chemists.

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Mobile chemistry and "Generation App"

  1. 1. Mobile devices and “Generation App” Antony Williams ICIC Conference October 2011
  2. 2. Mobilizing Chemistry <ul><li>We live in “Generation App” </li></ul><ul><li>Mobile devices, apps, cloud-based services and databases provide “Chemistry in the Hand” </li></ul><ul><li>Hundreds of apps are appearing: iOS (iPhone, iPads etc), Android, Blackberry etc. </li></ul><ul><li>It’s not just Chemistry…Science has gone Mobile.. </li></ul>
  3. 3. There’s an “App for That”
  4. 4. There’s an “App for That”
  5. 5. Siri Knows Chemistry
  6. 6. There’s a lot of Mobile Chemistry! <ul><li>Categorization of chemistry apps. More later… </li></ul>
  7. 7. Scientific Publishers Apps <ul><li>Scientific publishers release apps to: </li></ul><ul><ul><li>Provide mobile access to content </li></ul></ul><ul><ul><li>Search and deliver content to its registered users </li></ul></ul><ul><ul><li>Greater accessibility means greater readership </li></ul></ul><ul><ul><li>Revenue generation UNLIKELY via sales of Apps. Revenue comes from the content </li></ul></ul>
  8. 8. Scientific Publisher Apps (ACS) http://tinyurl.com/ykaprhf
  9. 9. Scientific Publisher Apps (Nature) http://www.nature.com/mobileapps/
  10. 10. SciVerse ScienceDirect http://tinyurl.com/3czq37y
  11. 11. Sciverse Scopus http://www.info.sciverse.com/scopus
  12. 12. Science App http://www.aaas.org/news/releases/2010/1108science_app.shtml
  13. 13. Online Tools for Publications
  14. 14. “ Papers” for Managing Publications
  15. 15. “ Mendeley” for Managing Publications
  16. 16. Wikipedia Chemistry
  17. 18. Wikipedia Chemistry
  18. 20. Structure Drawing as an entry point <ul><li>Structure entry as an entry point to: </li></ul><ul><ul><li>Calculations (formula, mass) </li></ul></ul><ul><ul><li>Predictions (local or server-based) </li></ul></ul><ul><ul><ul><li>Systematic name generation, logP, pKa, NMR prediction, etc. </li></ul></ul></ul><ul><ul><li>Database lookup </li></ul></ul><ul><ul><ul><li>On device dictionaries (because space doesn’t matter!) </li></ul></ul></ul><ul><ul><ul><li>Internet-hosted databases (because the latest content does matter) </li></ul></ul></ul>
  19. 21. Chemical Structure Drawing ChemJuice
  20. 22. ChemDoodle Mobile
  21. 23. Chemical Structure Drawing Mobile Molecular Datasheet
  22. 24. 1 st Structure Lookup of ChemSpider
  23. 25. 1 st Structure Lookup of ChemSpider
  24. 26. 2 nd Structure Lookup of ChemSpider
  25. 27. 2 nd Structure Lookup of ChemSpider
  26. 28. ChemSpider Mobile
  27. 29. Text and Structure Searching
  28. 30. Exact and Skeleton Search
  29. 31. Open in Browser <ul><li>Coming soon: </li></ul><ul><ul><li>Substructure searching </li></ul></ul><ul><ul><li>Similarity searching </li></ul></ul>
  30. 32. Chemical Reactions <ul><li>Chemical reactions are very amenable to serving up on mobile applications </li></ul><ul><li>What is available now? </li></ul><ul><ul><li>Teaching basics of chemical reactions </li></ul></ul><ul><ul><li>Look-ups against reaction databases </li></ul></ul><ul><ul><li>Reaction mechanisms </li></ul></ul>
  31. 33. Named Reactions http://www.synthetiqsolutions.com/named-reactions/
  32. 34. Organic Named Reactions http://tinyurl.com/3d54fvv
  33. 35. ReactionFlash http://tinyurl.com/3nt54w6
  34. 36. Reaction101 http://molmatinf.com/reaction101.html
  35. 37. Yield 101 http://molmatinf.com/yield101.html
  36. 38. Reaction Database Look-up
  37. 39. Reaction Database Look-up
  38. 40. “ App-Based Spectroscopy” <ul><li>What could be possible for spectra? </li></ul><ul><ul><li>Process </li></ul></ul><ul><ul><li>View </li></ul></ul><ul><ul><li>Predict </li></ul></ul><ul><ul><li>Analyse </li></ul></ul>
  39. 41. “ App-Based Spectroscopy” <ul><li>What could be possible for spectra? </li></ul><ul><ul><li>Process </li></ul></ul><ul><ul><li>View </li></ul></ul><ul><ul><li>Predict </li></ul></ul><ul><ul><li>Analyse </li></ul></ul><ul><li>Already available </li></ul><ul><ul><li>Do we need to process? </li></ul></ul><ul><ul><li>View </li></ul></ul><ul><ul><li>Predict </li></ul></ul><ul><ul><li>Analyse </li></ul></ul>
  40. 42. Spectra online
  41. 43. JSpecView http://jspecview.sourceforge.net/ <ul><li>Open Source Java applet from Bob Lancashire </li></ul><ul><li>Supports display of JCAMP format spectra </li></ul><ul><li>Used on ChemSpider and supported in browsers with Java support </li></ul>
  42. 44. JSpecView http://jspecview.sourceforge.net/ <ul><li>Open Source Java applet from Bob Lancashire </li></ul><ul><li>Supports display of JCAMP format spectra </li></ul><ul><li>Used on ChemSpider and supported in browsers with Java support </li></ul>
  43. 45. <ul><li>An open-source and free HTML5 toolkit. </li></ul><ul><li>For desktop and mobile browsers. </li></ul>ChemDoodle Web Components
  44. 46. Spectra in the hand
  45. 47. Sourcing information about SciApps http://www.scimobileapps.com/ <ul><li>An increasing number of Science Apps </li></ul><ul><li>Different platforms, different versions </li></ul><ul><li>How do you track them? Search them? </li></ul><ul><li>Where can developers post information about their apps? </li></ul><ul><li>iTunes does not segregate based on science </li></ul><ul><li>Introducing the SciMobileApps Wiki … </li></ul>
  46. 49. SciMobileApps Wiki
  47. 50. SciMobileApps Wiki
  48. 51. Why not use Wikipedia???
  49. 52. Changes in Mobile <ul><li>“ Apps” are originally iOs branded </li></ul><ul><li>And then came Android… </li></ul>
  50. 53. Tweet to App in 3 Days http:// www.slideshare.net/ekinssean/green-solvents-app
  51. 54. Social Networking to Apps
  52. 55. Green Solvents http:// itunes.apple.com/us/app/green-solvents/id446670983
  53. 56. Siri Knows Chemistry???
  54. 57. Siri Accesses Information
  55. 58. Chemists Know Chemistry
  56. 59. Conclusions <ul><li>More mobile adoption is inevitable – mobile is simply “smaller computers” </li></ul><ul><li>The discrimination of Apps will be based on: </li></ul><ul><ul><li>Ease of use </li></ul></ul><ul><ul><li>Quality of prediction algorithms </li></ul></ul><ul><ul><li>Access to quality content </li></ul></ul><ul><li>Running list of Chemistry Apps is updated here: http://www.slideshare.net/AntonyWilliams/ </li></ul>
  57. 60. Smart Phones
  58. 61. In Press
  59. 62. There’s an “App for That”
  60. 63. There’s an “App for That”
  61. 64. Thank you Email: williamsa@rsc.org Twitter: ChemConnector Blog: www.chemspider.com/blog Personal Blog: www.chemconnector.com SLIDES: www.slideshare.net/AntonyWilliams

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