Upgraded to latest iOS version.

Maintenance release.

Upgraded to iOS 11.

Maintenance release.

Model calculation now includes prepackaged Bayesian models for predicting properties (probabilistic): water solubility, Lipinski probelikeness, KCNQ and hERG avoidance, activity vs. Chagas disease, Bubonic plague, Malaria and Tuberculosis.

Property calculation has been redesigned: all structure-based properties are now calculated within the app itself, rather than calling out to a webservice. These are shown as a preview when opening the main menu buttons, as well as in a fullscreen mode. Properties include simple scalars such as molecular formula/weight, rotatable bonds, H-bonding donors/acceptors, and harder-to-calculate properties such as log P. Stereocentres (R/S and E/Z) are calculated and shown visually as a molecular overlay. Tautomers are calculated and shown as a collection, with affect atoms highlighted, and stereocentres ambiguated as appropriate. Atomic valence violations (e.g. tetravalent neutral nitrogen atoms) are shown with a visual overlay. Mass distributions are calculated and shown, with exact mass included. PAINS filters are determined, and shown as atomic overlays, for structures that are likely frequent hitters for drug screening programmes.

New calculated property preview: the main menu context view now shows calculated properties in a mini side-scrolling view. Also, calculation of PAINS filters (for assay frequent hitters) is calculated within the app. Sketcher improvements and bugfixes.

Improved the integrated sketcher tooltips.

Bug fixes.

Upgraded to iOS 8, and the new iPhone 6 form factors.

Upgraded to iOS 7. Minor bugfixes.

Bugfix: now saves content after pasting or searching.

Updated for iOS 7.

Interoperability menu enabled in the sketcher: can export content in various ways. Atom numbering capability added. Maintenance and miscellaneous improvements.

Improvements to public database searching: intermediate results are shown while waiting; vendor information is now available; and the ChemSpider database joins PubChem and ChEBI.

Main menu allows images to be copied onto the clipboard as bitmaps, which can be pasted into other apps, such as Keynote or Pages.

Adds searching of public databases, integrated into the app interface: PubChem and ChEBI can be searched by name, structure, substructure and similarity.

Updated for iPhone 5 form factor.

The property calculator panel can now furnish a mass distribution, suitable for helping out with mass spectroscopy structure determination. It also calculates the accurate mass of the base peak.

Maintenance release.

Molecules can be shared on the web and tweeted.

Maintenance release: performance improvements for retina-class devices.

Property calculation can now use the remote webservice to obtain: - stereochemical annotations (R/S, Z/E), which are displayed in an overlay - an enumerated list of tautomers, which can be navigated by tapping on the outlined transform atoms

Two major usability enhancements: (1) Additional tool banks on the left and right side of the sketcher provide simplified drawing tools that are more familiar to users of desktop chemical drawing software. (2) A tooltip system provides tips, live demonstrations and links to documentation.

Property calculations now include TPSA (Topological Polar Surface Area).