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Mobile Chemistry and the SciMobileApps Wiki OCTOBER 2011 VERSION


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This presentation provides an overview of how Chemistry available on Mobile Services is changing. The presentation focuses on Apps for iPhone, iPad and iPod Touch with some exposure of Android applications.

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Mobile Chemistry and the SciMobileApps Wiki OCTOBER 2011 VERSION

  1. 1. Mobile Chemistry and the SciMobileApps Wiki Antony Williams, PhD Version: October 22 nd 2011
  2. 2. Mobilizing Chemistry <ul><li>We live in the time of “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 for multiple mobile devices are appearing: iOS (iPhone, iPads etc), Android, Blackberry etc. </li></ul><ul><li>Publishers deliver content, Databases provide mobile access and hand-based calculations are expanding in number and diversity </li></ul><ul><li>It’s not just Chemistry…Science has gone Mobile.. </li></ul><ul><li>SciMobileApps Wiki indexes Mobile Science Apps </li></ul>
  3. 3. This Presentation….segregates <ul><li>Publisher apps </li></ul><ul><li>Accessing publications </li></ul><ul><li>eBooks </li></ul><ul><li>Theoretical chemistry </li></ul><ul><li>Data and chemical dictionaries </li></ul><ul><li>Chemical calculators </li></ul><ul><li>Safety and Hazards </li></ul><ul><li>Chemical Reactions </li></ul><ul><li>Structure drawing apps </li></ul><ul><li>Analytical chemistry </li></ul><ul><li>Biomolecules </li></ul>
  4. 4. 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 and engage other possible users </li></ul></ul><ul><ul><li>Greater accessibility means greater readership </li></ul></ul><ul><ul><li>Revenue generation UNLIKELY via sales of the Apps themselves. Revenue comes from the content – you don’t pay a website, you pay for what’s contained in the website (the content) </li></ul></ul>
  5. 5. ACS Mobile iPod, iPhone, iPad and Android:
  6. 6. ACS Mobile iPod, iPhone, iPad and Android:
  7. 7. Scientific Publisher Apps (Nature)
  8. 8. SciVerse ScienceDirect
  9. 9. Sciverse Scopus
  10. 10. Science App
  11. 11. PNAS
  12. 12. Journal of Biological Chemistry
  13. 13. RSC Mobile iPod, iPhone & iPad:
  14. 14. Delivering Content to App
  15. 15. Accessing Publications <ul><li>Various apps are available for accessing and searching across the literature </li></ul><ul><ul><li>CAS’ Scifinder Mobile </li></ul></ul><ul><ul><li>Accessing PubMed </li></ul></ul><ul><li>Apps are available for managing your own publication library – integrated to desktop applications </li></ul><ul><ul><li>Mendeley </li></ul></ul><ul><ul><li>Papers </li></ul></ul>
  16. 16. SciFinder Mobile
  17. 17. PubMed on Tap iPhone and iPad:
  18. 18. PubMed on Tap iPhone and iPad:
  19. 19. Managing Papers
  20. 20. Papers
  21. 21. Mendeley on iPhone
  22. 22. eBooks iPad: <ul><li>Mobile devices are ideal platforms to deliver “books” with the capabilities of “apps” </li></ul><ul><li>An ideal example of what is possible with eBooks is Theodore Gray’s “The Elements” </li></ul><ul><li>An eBook with rotatable objects, 3D stereoscopic images, videos, linked to the Wolfram Alpha computational engine and even a song… </li></ul>
  23. 25. Wikipedia Chemistry
  24. 26. Theoretical Chemistry <ul><li>Only a small number of theoretical chemistry apps are available </li></ul>
  25. 27. Atom in a Box iPod, iPhone and iPad:
  26. 28. Molsim iPod, iPhone and iPad: http ://
  27. 29. Data and Chemical Dictionaries <ul><li>Apps are ideal for delivering reference data </li></ul><ul><li>Public domain data has been assembled into small collections and delivered via app interfaces </li></ul><ul><li>Data collections include </li></ul><ul><ul><li>Elements </li></ul></ul><ul><ul><li>Lists of chemicals </li></ul></ul><ul><ul><li>Drugs and Medications </li></ul></ul>
  28. 30. Wikipedia Chemistry
  29. 31. EleMints
  30. 32. Chemistry Dictionary iOS:
  31. 33. Organic Compound Bible iPhone and iPad:
  32. 34. Drugs & Medications (A-Z) iOS:
  33. 35. Epocrates
  34. 36. Chemical Calculators <ul><li>Basic chemical calculations are simple to deliver </li></ul><ul><ul><li>Mass calculations </li></ul></ul><ul><ul><li>Molarity </li></ul></ul><ul><ul><li>Volume </li></ul></ul><ul><ul><li>pH </li></ul></ul>
  35. 37. LabCalPro iPhone:
  36. 38. DailyCalcs http://
  37. 39. Buffers http://
  38. 40. Chemical Safety and Hazards <ul><li>Chemical safety data is simply data tables </li></ul><ul><li>Most safety/hazard data are public domain and simply rewrapped for app-based delivery </li></ul>
  39. 41. NIOSH Chemical Hazards iPhone and iPad:
  40. 42. NIOSH Chemical Hazards iPhone and iPad:
  41. 43. 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>
  42. 44. Named Reactions
  43. 45. Organic Named Reactions
  44. 46. ReactionFlash
  45. 47. Reaction101
  46. 48. Yield 101
  47. 49. Mobile Structure Drawing Apps <ul><li>Why draw structures? </li></ul><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>
  48. 50. Molpad on Android
  49. 51. ChemMobi
  50. 52. ChemJuice Linked to YouTube Content
  51. 53. Mobile Molecular Datasheet Blackberry:
  52. 54. Mobile Molecular Datasheet iPhone:
  53. 55. MolPrime
  54. 56. Green Solvents <ul><li>A reference list of solvents, with auxiliary information about their health, safety and environmental malignancy. </li></ul>
  55. 57. ChemSpider Mobile
  56. 58. Analytical Chemistry <ul><li>Various type of analytical science can be served: </li></ul><ul><ul><li>General capabilities </li></ul></ul><ul><ul><ul><li>Spectral display </li></ul></ul></ul><ul><ul><ul><li>Tables of constants </li></ul></ul></ul><ul><ul><li>NMR </li></ul></ul><ul><ul><ul><li>Active nuclei, frequencies </li></ul></ul></ul><ul><ul><ul><li>Chemical shift prediction </li></ul></ul></ul><ul><ul><li>Mass Spectrometry </li></ul></ul><ul><ul><ul><li>Mass calculation: </li></ul></ul></ul><ul><ul><li>Infrared </li></ul></ul><ul><ul><li>Others…. </li></ul></ul>
  57. 59. Spectra in the hand
  58. 60. NMR Isotopes iPhone, iPod & iPad:
  59. 61. Mass Spectrometry: Isotopia iPhone, iPod & iPad:
  60. 62. Accurate Mass Tool iPhone, iPod & iPad:
  61. 63. LabCalPlus Ipad:
  62. 64. Bioinformatics too…GenomePad
  63. 65. Large Molecules
  64. 66. iKinase for iPad
  65. 67. iKinase for iPhone
  66. 68. Other Scientific Apps <ul><li>There are an abundance of other scientific apps.. </li></ul><ul><ul><li>Physics </li></ul></ul><ul><ul><li>Biology </li></ul></ul><ul><ul><li>Medicine </li></ul></ul><ul><ul><li>Mathematics </li></ul></ul><ul><ul><li>Geology </li></ul></ul>
  67. 69. Sourcing information about SciApps <ul><li>An explosion of Science Apps </li></ul><ul><li>Different platforms, different versions </li></ul><ul><li>How do you track them all? </li></ul><ul><li>How do you search them? </li></ul><ul><li>Where can developers post information about apps? </li></ul><ul><li>iTunes does not segregate based on science! </li></ul><ul><li>Introducing the SciMobileApps Wiki … </li></ul>
  68. 70. Why not use Wikipedia??? <ul><li>General listings of apps are strictly controlled… </li></ul>
  69. 72. The SciMobileApps Hosts <ul><li>SciMobileApps is hosted for the community by two scientists interested in how Mobile Apps can contribute to the worlds of chemistry and Drug Discovery. </li></ul><ul><li>Antony Williams is a part of the online social network as ChemConnector on Wikipedia , on Twitter , on his Blog and on LinkedIn </li></ul><ul><li>Sean Ekins is a part of the online social network as CollabChem on Wikipedia , on Twitter , on his Blog and on LinkedIn </li></ul>
  70. 73. SciMobileApps Pages: Chemistry
  71. 74. SciMobileApps Wiki
  72. 75. SciMobile Apps Wiki
  73. 76. SciMobile Apps Wiki <ul><li>Request account: Click for Link </li></ul>
  74. 77. Apps vs. Mobile Optimized Websites <ul><li>Apps are resident and can run without internet access (provided they are not dependent on cloud-based content) </li></ul><ul><li>Support of apps on multiple devices can be resource intensive to support </li></ul><ul><li>Mobile Optimized Websites serve all devices, but there might still be some browser dependence </li></ul><ul><li>Can only work when there is internet access </li></ul><ul><li>Likely cheaper to deploy and support – no revenue sharing with “App Stores” </li></ul>
  75. 78. ChemSpider Website on Mobile
  76. 79. ChemSpider Website on Mobile
  77. 80. Reaction Database Look-up
  78. 81. Reaction Database Look-up
  79. 82. Other Resources <ul><li>Smart Phones – A Powerful Tool in the Classroom </li></ul><ul><li>Mobile chemistry - chemistry in your hands and in your face </li></ul><ul><li>Mobile apps for chemistry in the world of drug discovery </li></ul><ul><li>Slideshare presentations </li></ul><ul><ul><li>Chemistry in the hand the delivery of structure databases and spectroscopy gaming on mobile devices </li></ul></ul><ul><ul><li>Chemistry in your hand using mobile devices to access public chemistry compound data </li></ul></ul>
  80. 83. Thank you Twitter : ChemConnector Blog : SLIDES: