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Mobile Molecular DataSheet
The following articles introduce a variety of capabilities of the Mobile Molecular DataSheet, for both the supported platforms: Apple's iOS and BlackBerry OS. Both of these products have very similar features, but have been extensively customised to fit the capabilities of the devices on which they run.
iPhone OS
These articles apply to iPhone, iPad and iPod devices:
- Mobile Molecular DataSheet (iOS)
- Introduction to Drawing (iPhone)
- Overview of Drawing Gestures (iPhone)
- Annotated Screens (iPhone, iPad)
- Introduction to Reactions (iPhone)
- Drawing with Templates (iPhone)
- Searching ChEBI (iPhone)
- Output to a Projector (iPhone)
- Sharing Molecules and Data (iOS)
- Copying Images to the Clipboard, Using with Keynote (iPad)
BlackBerry
These articles apply to all BlackBerry devices that run OS 5.0 or later:
MolSync
MolSync is an iOS app which provides data synchronisation with cloud-based storage repositories, and integration with other apps, such as the Mobile Molecular DataSheet.
- Introduction to MolSync (iOS)
- Sharing Data with MolSync: Case Study 1
- Sharing Data with MolSync: Case Study 2
- Tweeting Chemical Data with MolSync
SAR Table
SAR Table is an iOS app that simplifies the process of creating a series of structures made up of scaffolds and substituents. The specialised user interface is supplemented by powerful algorithms and graphics output features for manuscript preparation.
Other Apps
The following apps are available for the iOS platform (iPhone, iPod and iPad), based on technology from the Mobile Molecular DataSheet:
Technical
The following documents describe some of the technical details of software produced by Molecular Materials Informatics, Inc.
- Format: SketchEl Molecule
- Format: XML DataSheet
- Format: DataSheet Aspects
- WebServices Protocol
- WebService Code Example
- MolSync Remote Procedure Calls
- Interprocess communication amongst iOS apps
Literature
Publications by Molecular Materials Informatics in peer-reviewed scientific journals:
-
Alex M. Clark: "Basic primitives for molecular diagram sketching",
Journal of Cheminformatics 2, 8 (2010) link -
Antony J. Williams; Sean Ekins; Alex M. Clark;
James Jack, J. ; Richard L. Apodaca: "Mobile apps for chemistry in the world of drug discovery",Drug Discovery Today 16, 928-939 (2011) link -
Alex M. Clark: "Accurate Specification of Molecular Structures: The Case for Zero-Order Bonds and Explicit Hydrogen Counting",
Journal of Chemical Information and Modeling 52, 3149-3157 (2011) link
Freely redistributable white-papers:
-
Alex M. Clark; Maurizio Bronzetti; Steven M. Muskal: "Reaction101 and Yield101: Two mobile apps for chemistry with pedagogical value",
White-paper (2011) link
Collaboration
- Mobile Reagents App with Embedded MMDS
- iProtein App with Embedded MMDS
- Property Calculations via Open Notebook Science
- Third Party App Development
Stories
These articles are less dry and contain a higher proportion of opinion and anecdotes:
These blogs are hosted on cheminf20.org:
- Why have chemistry software on mobile devices?
- The current menagerie: MMDS, Reaction101, Yield101
- An inline abbreviation mechanism for structure diagrams
- The real reason for junk chemical data
- Upgrading apps to “retina quality”: starting with MolPrime
- Melting point prediction for MMDS by way of Open Notebook Science
- 5 kinds of open: source, data, algorithms, formats and protocols
- MMDS with remote procedure calls: email SVG
- Web-accessible data for Green Solvents
- “Process Mass Intensity” calculation in Yield101 app
- Email your ChemDraw sketches to yourself
- Hybrid desktop/mobile sketcher (sneak preview)
- Opening ChemSpider Synthetic Pages with MMDS
- Releasing an iOS app using encryption: first time
- Energy-efficient cheminformatics
- Another minigame: play Life with MolPrime
- MolSync and MMDS integration
- Sharing public data with MolSync
- Mobile chemistry, collaboration and the future of pharmaceutical research
- MMDS now supports Chemical Markup Language (CML)
- Twitter now integrated into MolSync app
- Searching ChemSpider directly from MMDS
- Mobile chemistry: coming of age
- Collection of common reactions
- Creating Microsoft Word documents with vector drawings of structures
- Creating Microsoft Excel spreadsheets with vector drawings of structures
- Creating Microsoft Office documents from within apps
- New sketching features for MMDS
- SAR Table app: significant roster of new features
- New paper: Accurate Specification of Molecular Structures: The Case for Zero-Order Bonds and Explicit Hydrogen Counting
- Recent MMDS improvements: drawing and rendering
For a wiki site dedicated entirely to mobile apps for science, see: SciMobileApps.
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| © 2010-2011 Molecular Materials Informatics Inc. All rights reserved. Last modified 05-Jan-2012 |
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