Mobile Molecular DataSheet      for iOS mobile devices (iPhone, iPod, iPad)http://molmatinf.com/products.html             ...
App Overview•   Chemical information tool for Apple iOS-based devices•   View and edit molecular structures, reactions and...
Availability•   The Mobile Molecular DataSheet is available from the    Apple iTunes AppStore    http://itunes.apple.com/a...
Features•   Content consumption and creation•   Chemical structure diagram drawing•   Reaction drawing and balancing•   Da...
Structure drawing   •   Built-in chemical structure editor   •   Fast to use, extremely powerful   •   Draw perfect, prese...
Reaction drawing                                            •   Draw reactions by                                         ...
DataSheet management•   DataSheet management: organise structures and    reactions with auxiliary data: name, text, numeri...
Communication and collaboration               • Send structures, reactions and                                datasheets b...
Webservices and searching•   Execute custom webservices using an open protocol•   4 examples provided: search PubChem, ChE...
Graphics preparation•   Copy image to clipboard and    paste into other apps, e.g.    Keynote•   Export molecules, reactio...
In the literature•   A.M. Clark, "Basic primitives for molecular diagram    sketching", Journal of Cheminformatics, 2:8 (2...
More Informationhttp://molmatinf.com/products.htmlhttp://cheminf20.org                                                    ...
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Mobile Molecular DataSheet Product Overview

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Product and feature overview for the Mobile Molecular DataSheet (MMDS) app for iOS.

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Mobile Molecular DataSheet Product Overview

  1. 1. Mobile Molecular DataSheet for iOS mobile devices (iPhone, iPod, iPad)http://molmatinf.com/products.html Dr. Alex M. Clark June 2012 © 2012 Molecular Materials Informatics, Inc. 1
  2. 2. App Overview• Chemical information tool for Apple iOS-based devices• View and edit molecular structures, reactions and data
  3. 3. Availability• The Mobile Molecular DataSheet is available from the Apple iTunes AppStore http://itunes.apple.com/app/mobile-molecular-datasheet/id383661863 http://molmatinf.com/products.html
  4. 4. Features• Content consumption and creation• Chemical structure diagram drawing• Reaction drawing and balancing• DataSheet management• Communication and collaboration• Webservices and catalog searching• Graphical figure preparation
  5. 5. Structure drawing • Built-in chemical structure editor • Fast to use, extremely powerful • Draw perfect, presentation-quality diagrams • Optimised for touchscreens: maximum use of gestures • Advanced templates and sophisticated placement prediction • Works equally well for both phone and tablet form factors
  6. 6. Reaction drawing • Draw reactions by component: - reactants - reagents - products• Specify stoichiometry, and use tools to balance reactions• Full support for inline abbreviations
  7. 7. DataSheet management• DataSheet management: organise structures and reactions with auxiliary data: name, text, numeric, etc.• Edit structure template groups for customised sketching
  8. 8. Communication and collaboration • Send structures, reactions and datasheets by email • Unpack data from incoming email • Parse many different cheminformatics formats including ChemDraw• Copy/paste structures on the clipboard• Exchange data with other apps• Share data on the web, or tweet it out
  9. 9. Webservices and searching• Execute custom webservices using an open protocol• 4 examples provided: search PubChem, ChEBI, eMolecules, and calculate melting point
  10. 10. Graphics preparation• Copy image to clipboard and paste into other apps, e.g. Keynote• Export molecules, reactions and datasheets using other formats• Create graphics: - Bitmaps (PNG) - Scalable Vector Graphics (SVG) - Encapsulated PostScript (EPS) - Microsoft Word & Excel (DocX)
  11. 11. In the literature• A.M. Clark, "Basic primitives for molecular diagram sketching", Journal of Cheminformatics, 2:8 (2010)• A.J. Williams, S. Ekins, A.M. Clark, J. Jack, R. Apodaca, "Mobile apps for chemistry in the world of drug discovery", Drug Discovery Today, 16, 928-939 (2011)• A.M. Clark, "Accurate Specification of Molecular Structures", Journal of Chemical Information and Modeling, 52, 3149-3157 (2011)• A.M. Clark, A.J. Williams, S. Ekins, "Redefining Cheminformatics with Intuitive Collaborative Mobile Apps", Molecular Informatics, manuscript in press.
  12. 12. More Informationhttp://molmatinf.com/products.htmlhttp://cheminf20.org @aclarkxyz info@molmatinf.com © 2012 Molecular Materials Informatics, Inc. 12
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