Several of the flagship apps from Molecular Materials Informatics have had major updates recently: the Mobile Molecular DataSheet, SAR Table, MolPrime+, Green Lab Notebook and Approved Drugs. Two separate groups of features have motivated these updates: (1) the inclusion of in-app calculation of nontrivial properties, lately supplemented by the inclusion of Bayesian models, and (2) leveraging the new iOS 8 API feature for importing & exporting data to any compatible service, which includes iCloud by default, but also Dropbox if it is installed. Continue reading
dropbox
Online file sharing with iOS 8: upgrading the Green Lab Notebook app
Mobile apps for iOS have always been able to share files by a variety of different mechanisms, but many of these were limited in ways that were very detrimental to the user experience. The Green Lab Notebook app is now catching up to the new technology introduced with iOS 8: using the “document picker” interface to import and export files to document providers, which immediately makes it fully interoperable with iCloud, and file sharing services like Dropbox. Continue reading
MolSync v1.2 adds iCloud support
MolSync v1.2 has just been submitted to the AppStore, and with any luck will pass through the review process in a week or so. The new version adds another repository type: iCloud. In prior versions, the app supported only Dropbox, but has always been intended to support a variety of services. Continue reading
Super Friday app update, and a positive Apple experience
Most of the apps from Molecular Materials Informatics have been updated recently, due to the iPad3: the retina-class screen has half again as many pixels as a 1080p monitor (i.e. a lot), and the performance profiles of some graphics operations have changed. A few things that were fast became slow, and so a few tweaks were necessary. A whole lot of apps got reviewed and passed in quick succession: MolPrime+, MMDS, MolSync, ODDT and ChemSpider Mobile. Others will follow soon.
ACS Talk: Building a mobile app ecosystem for chemistry collaboration
The slides for my recent presentation at the American Chemical Society meeting in San Diego (Spring 2012):
The slides cover a whirlwind tour through some of the apps produced by Molecular Materials Informatics, showing how they can be used together in a realistic chemical information workflow.
Dipping into ADME properties: log P and molar refractivity
New functionality is being rolled out to the molsync.com server: a new implementation of log P and molar refractivity calculations, two important ADME properties. The functionality is currently available on the web-based interface:
2011 redux
2011 has been a busy year for Molecular Materials Informatics, with new products, new features and new developments coming on hard and fast. 2012 begins tomorrow, and promises to keep up the same breakneck pace. This post is an executive summary of some of the news that was released over the year. Leaving out of course some of the projects that have yet to be unveiled.
At the beginning of 2011, there were just two products, with the same name: the Mobile Molecular DataSheet, or MMDS for short. Due to the rapidly shifting fortunes of mobile device platform makers, the iOS version for iPhone, iPod and iPad took centre stage in 2011, leaving the BlackBerry version behind. The iOS version was mostly feature complete by the beginning of 2011, having already added webservices access and reaction editing. Throughout 2011 the product has steadily matured, with a regimen of software updates adding minor and not-so-minor features, enhancements, bug fixes and ergonomic improvements.
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.
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.
MolSync and MMDS integration
New versions of the Mobile Molecular DataSheet (MMDS) (v1.3) and MolSync (v1.1) are now available on the iTunes AppStore. This is a tandem-release, because the two apps have been enhanced so that they work together explicitly.
Cheminformatics 2.0 