mobile devices

Mobile chemistry product roadmap

With the American Chemical Society San Diego meeting coming up next month, and a year’s worth of new products and new features to cram into a 30 minute talk, now is as good a time as any to review some of the upandcoming developments that are on the roadmap for Molecular Materials Informatics.

These projects include some of the improvements that are intended for the near future. This planning ahead is just a snapshot in time, so entries will be added, deleted or reprioritised as necessary. Continue reading →

More about ODDT

The previous post mentioned a new project in the works, called ODDT (short for Open Drug Discovery Teams, or anachronistically “Oddity”). This is a project that was not even an idea 3 weeks ago when Sean Ekins started writing out some notes during a conference. In the interim time we got together and drew out a roadmap, built an app, put together some server infrastructure, and pitched the app in front of the Pistoia Dragon’s Den.

The project is currently immature, raw, and very far from finished – but this post covers some of the basics of what it is, and what it will grow into. Continue reading →

A new app is on the way: MolPrime+

There is now another iOS app waiting for initial approval on the AppStore, by the name of MolPrime+. As the name suggests, this is an enhanced version of the MolPrime app. Once the app gets through the review process, it will be available for the grand price of one dollar, whereas its predecessor was free. In return for this investment, advertisements are gone, some more advanced structure-properties can be calculated, and more graphics exporting options are available, including exporting vector graphics to Microsoft Word’s .docx format. And also the user interface has been overhauled, and if you’re not convinced already, it even has new cover art:

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.

Continue reading →

SAR Table app: significant roster of new features

Version 1.0.2 of the SAR Table app has just come out on the iOS AppStore. This is a significant upgrade, since it introduces a number of features that have been planned all along, but were left out of the 1.0 release, in order to get a minimum viable product in place.

One of the most noticeable differences is an expanded command bank for editing SAR tables:

Most of the new features are described in the introductory tutorial, which has been updated for the new version. Continue reading →

New sketching features for MMDS

The designed-for-mobile sketcher that was introduced with the Mobile Molecular DataSheet app in 2010 is based on a collection of primitives that was later published in the scientific literature. Over the last year or so the molecule drawing interface has received a lot of fine tuning, but not many major new features. The next version of MMDS (1.3.6), currently awaiting approval on the AppStore, has two important new primitives, which are seen in a redesigned bond sub-bank.

The first of these new primitives is used to add two new substituents to the subject atom:

Continue reading →