Feature preview: integrated searching within apps

metasearch_collageCurrently there’s a new feature in the works that’s going to make searching for compounds more convenient. The internal name is “MetaSearch”, because it’s a webservice that layers itself on top of existing search engines, and pulls together the best content from each of them and does a variety of additional processing.

As can be seen from the collage to the right, the new feature will first be made available in the Mobile Molecular DataSheet app for iOS, and will appear in the version 1.4 release. Continue reading →

Green chemistry apps in the literature

acsgreenThere 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.

Model building, genetic algorithms and the SAR Table app

sartable_model1Recent 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 →

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.

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 →