Download - Mobile Molecular DataSheet Product Overview
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Mobile Molecular DataSheet
Dr. Alex M. Clark
© 2012 Molecular Materials Informatics, Inc.
June 2012
http://molmatinf.com/products.html
for iOS mobile devices (iPhone, iPod, iPad)
App Overview• Chemical information tool for Apple iOS-based devices
• View and edit molecular structures, reactions and data
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
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
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
Reaction drawing
• Draw reactions by component:
- reactants
- reagents
- products
• Specify stoichiometry, and use tools to balance reactions
• Full support for inline abbreviations
DataSheet management• DataSheet management: organise structures and
reactions with auxiliary data: name, text, numeric, etc.
• Edit structure template groups for customised sketching
Communication and collaboration• Send structures, reactions and
datasheets by email
• Copy/paste structures on the clipboard
• Exchange data with other apps
• Share data on the web, or tweet it out
• Unpack data from incoming email
• Parse many different cheminformatics formats including ChemDraw
Webservices and searching• Execute custom webservices using an open protocol
• 4 examples provided: search PubChem, ChEBI, eMolecules, and calculate melting point
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)
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.
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More Information
© 2012 Molecular Materials Informatics, Inc.
http://molmatinf.com/products.htmlhttp://cheminf20.org