There is now at long last a publication describing our efforts to promote green chemistry using mobile platforms: see the latest article in ACS Sustainable Chemistry and Engineering. It’s free to download the PDF, so check it out now. The article describes the Green Solvents app, the green-relevant calculations that are included in the Yield101 app, and the Open Drug Discovery Teams topic devoted to green chemistry. There’s also a nod to the Lab Solvents app (for Android), which is a more recent creation.
mobile devices
Model building, genetic algorithms and the SAR Table app
Recent efforts on the subject of model building are getting close to fruition. As mentioned a few months back when I presented a CINF webinar, the SAR Table app has a not-yet-released feature which allows the current set of structures and their activities (“responses”) to be packed off to a webservice, which proceeds to construct a model based on structural features, then predicts values for any structures that don’t have values for that particular property. Continue reading
2012 redux
Now that the Mayan calendar has flipped its highest bit, and as far as I can tell everything is still where it was the day before except for the afterparty mess, it’s as good a time as any to review what has happened over the last year as pertains to Molecular Materials Informatics and its relevant domain, namely the intersection of cheminformatics and mobile+cloud products. Continue reading
MolPrime for Android now allows emailing of structures
Version 1.0.4 of MolPrime for Android has a new feature: it can initiate outgoing emails which automatically include the structure data (.el, .mol) and a graphic image (.png). This brings the Android version one step closer to feature parity with the iOS versions with the same name.
TB Mobile coming to an Android near you
The TB Mobile app is soon going to have an Android version too. Originally released for iOS (October 2012), work began on the Android version not long after. The user interface of the two apps is essentially the same, with a few minor stylistic differences on account of it being a different platform.
The two screenshots to the right suggest that the app is almost feature complete, which is indeed the case. There remains only some peripheral functionality, followed of course by testing and a general going-over to tighten up the look’n’feel.
When it’s ready, the app will be released on Google Play, and be freely available. It will run on pretty much any Android device, as it is compiled against the 2.3.4 version of the operating system, and adapts to a variety of form factors.
Lab Solvents app for Android nearing completion
Another app is on its way for Android, called Lab Solvents. It’s not quite finished yet, but as you can see in the snapshot to the right, it is close. The new app is basically a fusion between the iOS apps Approved Drugs, TB Mobile and Green Solvents, built for Android. Continue reading
ChemSpider Mobile app goes both ways: now includes Android
The ChemSpider Mobile app is now available for Android, and can be downloaded for free on Google Play. It should work well on just about any Android-based phone or tablet that has access to Google’s storefront, and it is built against a version of the operating system (2.3.3) that not only includes most official Android devices, but also can potentially be adapted to run on other platforms, such as Amazon Kindle of BlackBerry 10. Continue reading
Pistoia App Strategy webinar coming up
Next Friday (9th November, 11am EST), the Pistoia Alliance will be hosting a webinar describing their App Strategy. Yours truly will be the presenter. The webinar will describe the three planned phases of the Pistoia Alliance App Strategy. Continue reading
MolPrime for Android and sharing on the web
The most recent version version of MolPrime for Android v1.0.3 adds the ability to share structures on the open web. The Android port of MolPrime was originally released as a technology proof of concept, a work in progress to show that the core functionality of chemical structure drawing has been successfully ported to the other popular mobile platform. Now with the ability to share structures, the free app now starts to take on the role of a useful workflow productivity tool. Continue reading
TB Mobile: an app with reference data for tuberculosis drug research
There is now another freely downloadable app in the iTunes AppStore called TB Mobile. If you have an iOS based device and any interest in research for new tuberculosis drugs, you should check it out. The app presents about 700 molecular structures, each of which has been screened against the tuberculosis mycobacterium (Mtb). Continue reading
Cheminformatics 2.0 