Archive for October, 2011

Searching ChemSpider directly from MMDS

A convenience feature has been added to the latest version of the Mobile Molecular DataSheet (MMDS): the menu list for molecules now includes a Search option, which has a submenu containing both Mobile Reagents and ChemSpider:

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Twitter now integrated into MolSync app

The MolSync app now passes along a new feature provided by iOS 5: sending tweets from inside the app, using the Twitter framework that is now part of the device operating system.

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Mobile chemistry, collaboration and the future of pharmaceutical research

I don’t often weigh in on the grandiose topic of the future of the pharmaceutical industry, partly because my closest experience with the subject is based on designing software to help other chemists with drug discovery: this gives me a great detail view of some of the trees, but as far as the forest is concerned, that has to be covered by reading news and discussions with friends and colleagues. But it doesn’t take a seer to figure out that the pharmaceutical industry is trying to reinvent itself, with increasingly radical (or desperate) attempts to find a way to comfortably survive, if not actually return to the boom times of decades past.

A recent blog by Sean Ekins about the virtualisation of R&D mentions some of the trends towards breaking down the monolithic practices that were so successful in the past, and putting them back together out of myriad alliances between contractors, academia, government and of course the pharma companies themselves. My professional interest in this redesign is of course software: in order to permit these disparate research interests to collaborate successfully from all around the globe, we’re all going to need lots of software. And not the old kind that your IT guy installs on the locked down computer at your desk, which you use to show your boss what you’ve been working on when he walks down the corridor to see what you’ve been up to. Read the rest of this entry »

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MMDS now supports Chemical Markup Language (CML)

Support for the Chemical Markup Language (CML) has been added to the Mobile Molecular DataSheet (MMDS). CML is an XML dialect for describing chemical entities in general, and structures in particular. This functionality is provided to the mobile app via remote procedure calls to molsync.com, and will most likely first be encountered when sending data via email:

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Interacting with the ChemSpider Mobile app

ChemSpider Mobile for iOS version 1.0.1 has been released (see AppStore, MMI, SciMobileWiki). The new version allows the app to be used to open chemical structures from arbitrary sources, which includes email attachments, web downloads, and other apps which implement the “Open with” functionality for chemical structure data:

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Using MolSync for chemical collaboration

Two articles have recently been added to the Molecular Materials Informatics site:

As the titles suggest, both articles are about sharing data with MolSync. Used in conjunction with MMDS, the apps can synchronise data on a Dropbox account, in many-to-one or many-to-many relationships.

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