ACD/Labs Add-ins for ISIS

Version 6.0 to 7.0

New features of ACD/Labs Add-ins for ISIS/Base/Host:

Increased integration with ACD/Labs products:

• Predict XNMR shifts and constants. Display and store calculated data and spectra in the ISIS/Base interface. Specify the XNMR user databases to increase accuracy of prediction. Use Set NMR Calculation Options for XNMR.
• 2D NMR and Curve were added to the list of already supported techniques that include1D NMR, MS, UV-IR, and Chromatography.
• View ACD/SpecManager SQL spectral data.
• Search through CNMR, HNMR, Dictionary, and PhysChem databases.
  The list of searchable ACD/Labs databases is extended to include CNMR DB, HNMR DB, LogP DB, Solubility DB, and pK_a DB.

Increased flexibility and ease-of-use:

• A new feature, "Simple Opening Files from Disk"was implemented. It allows you to open a document by double-clicking on the file link stored in the ISIS database. The document can be opened in ACD/SpecManager, ACD/SpecViewer, or "Add-in Viewer" (according to the ACD/SpecManager link settings)
• To help users who do not have access to ACD/SpecManager or ACD/SpecViewer, the new Add-in "Experimental Data Viewer" is added to display spectral data (spectral/chromatographic/curve).
• Improved quality of spectral and chromatographic view rendering. Use standard ACD/Labs templates from the ISIS/Base interface to view spectral, chromatographic, or curve data. Modify view options. Manage the templates list. Filter stored data by technique.

Improvements in ACD/Labs Add-in for ISIS/Draw include:

Enhanced customization and flexibility:

• Search through ACD/Labs CNMR, HNMR, Dictionary, and PhysChem databases.
• Set options for LogD, pK_a, Boiling Point, IUPAC Name, and Index Name calculations.

New integration possibilities:

• Calculate logD using ACD/LogD Suite and produce a table of results in the ISIS/Draw window.
• Predict XNMR shifts/constants for selected ISIS/Draw chemical structures.

New! Name Add-ins for ISIS/Draw and ISIS/Base

ACD/IUPAC Name Add-in for ISIS/Draw, ACD/Index Name Add-in for ISIS/Draw, ACD/IUPAC Name Add-in for ISIS/Base, and ACD/Index Name Add-in for ISIS/Base - the easiest way to generate names for chemical structures in ISIS/Draw or ISIS/Base.

• Generate the IUPAC or Index name, respectively, for the chemical structures of interest;
• Specify the naming preferences; and
• Copy the generated name to the clipboard.