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

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.
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2. App Overview
• Chemical information tool for Apple iOS-based devices
• View and edit molecular structures, reactions and data

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. 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. 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. Reaction drawing
• Draw reactions by
component:
- reactants
- reagents
- products
• Specify stoichiometry, and use tools to balance reactions
• Full support for inline abbreviations

7. DataSheet management
• DataSheet management: organise structures and
reactions with auxiliary data: name, text, numeric, etc.
• Edit structure template groups for customised sketching

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. Webservices and searching
• Execute custom webservices using an open protocol
• 4 examples provided: search PubChem, ChEBI,
eMolecules, and calculate melting point

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. 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. More Information
http://molmatinf.com/products.html
http://cheminf20.org
@aclarkxyz
info@molmatinf.com
© 2012 Molecular Materials Informatics, Inc.
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