1.6.12
2019-01-03
Upgraded to latest iOS version.
1.6.11
2018-02-05
Maintenance release.
1.6.10
2017-11-13
Updated for iOS 11.
1.6.7
2016-01-14
Fixed a bug that was preventing file importing in iOS 9.
1.6.6
2015-11-24
Updated for iOS 9, and using full screen size of iPad Pro.
1.6.5
2015-09-21
A news ticker has been added to the bottom right corner of the main screen, with uptodate information about developments in the mobile chemistry space. It can be switched on or off using the configuration settings.
1.6.4
2015-09-12
Maintenance release.
1.6.3
2015-06-30
Fixed a bug regarding importing of some Bayesian models.
1.6.2
2015-05-19
Can now export molecules and reactions as PDF files, which can be copied to the clipboard or attached to outgoing emails. PDF-on-clipboard is an easy way to transfer vector graphics into other apps, such as Keynote and Pages.
Loading time performance has been improved by making the Bayesian models parsed independently.
1.6.1
2015-03-10
Bayesian models can now be imported: the 8 prepackaged models can be supplemented with models built with other software.
1.6.0
2015-02-06
Property calculation now includes Bayesian models. For individual models, the results are shown as a probability estimate, and a molecular overlay showing the atoms that contributed (ECFP6) fingerprints to the better/worse features. For whole datasheets, probabilities are calculated and stored in a column for each row. In this version, models included are: Solubility, Lipinski Probelike, hERG, KCNQ1, Bubonic Plague, Chagas Disease, Malaria and Tuberculosis.
The ability to import and create new Bayesian models will be added in a followup release.
The app has also been extended to integrate with the iCloud document picker extensions: files can be imported or exported to iCloud folders, as well as other compatible file sharing services, like Dropbox.
1.5.9
2015-01-19
A number of structure-based properties can be calculated within the app. For one molecule at a time, visual previews are available for: molecular formula & weight, heavy atoms, H-bond acceptors & donors, rotatable bonds, log P, molar refractivity, atomic valence violations, stereochemistry (R/S and E/Z), tautomers, PAINS filter matches, and mass distribution. These properties can also be calculated for whole datasheets.
1.5.8
2015-01-08
Maintenance release: bugfixes.
1.5.7
2014-12-04
Updated the title banner for editing molecules, reactions and datasheets. Can now rename individual entries from the structure editor.
1.5.6
2014-11-07
Molecular sketcher buttons now adapt more specifically to different phone/tablet sizes, including structure template menus shown on the right hand side for the iPad. Tooltips are now more closely integrated into the sketching process, which makes learning the interface more effective.
1.5.5
2014-10-01
Upgraded to iOS 8 and the new iPhone form factors.
1.5.4
2014-09-03
Abbreviation editor has been improved, and now also supports superscripts (e.g. for labels like iPr, and isotopes).
1.5.3
2014-08-20
Minor bugfixes. Reactions can now be exported as a single MDL Molfile, with all components crammed into the structure.
1.5.2
2014-02-19
Searching has additional options, and improved importing of results.
1.5.1
2014-02-04
Bug fixes relating to molecule searching.
1.5.0
2014-01-23
Upgraded to iOS 7. Allows landscape mode on iPhone. Added two major features: sequential pipeline tools and pharmacological assay lookup (using OpenPHACTS).
1.4.9
2013-12-20
Redesigned the menu system used by the front page view. Overhauled the data importing process.
1.4.8
2013-11-22
Sketcher improvements: crayon gestures for adding rings and lines; traversal gesture for growing rings from bonds; and a "band-aid" feature for fixing badly drawn chain bonds.
1.4.7
2013-09-25
Updated for iOS 7, and fixed a crash bug with the new OS.