What's New in ACD/ChemSketch
Version 12 to Version 2012
- Possibility to define User Templates and display them as the buttons on the References toolbar. The list of templates can be imported and exported to/from MDL SDfile.
- Expanded Markush display options in the Preferences dialog box allow the definition of multiple Markush substitutions more convenient.
- New 1.04 version of the InChI procedures is included in ACD/ChemSketch.
- Ring Double Bond Equivalents (RDBE) is added to the list of the ACD/ChemSketch calculated properties and is available both at the status bar and from the Calculate submenu.
- The User Templates are automatically added to the list of abbreviations (Edit Label dialog box) and can be either automatically expanded or used as atom labels, allowing correct recognition in the databases and by the calculation engines.
- Ability to insert text in Structure mode.
- Maximum poster size is increased to twice the previous size.
Version 11 to Version 12
- ACD/Dictionary expanded to over 30,000 well-known structures, with over 165,000 corresponding chemical names and registry numbers
- The background color, buttons, and other graphic controls can be made to conform to the Windows setting, the classic ACD/Labs view, or you can create your own theme and preference
- Resize and Rotate tools for manipulating images and structure objects are simplified; making them similar to those used by Microsoft Word, ChemDraw, and many other applications
- Copy all generated tautomers in one click
- New InChI Options proposed by IUPAC were implemented, including:
- Mobile Hydrogen Perception (taking tautomerism into account)
- Excluded bonds to metal
- Absolute stereoconfiguration
- Taking into account narrow ends of stereobonds only
- The SMILE or InChI for zero valent metals has been corrected to prevent the addition of non-explicit hydrogens