ACD/Structure Design Suite
Input/Output
|
For the purpose of compound optimization, users can choose to either draw their structures directly in the ACD/Labs software interface using an array of tools including pre-made chemical templates, or import the structure from any popular third-party application such as ChemDraw or ISIS Draw. MDL molfiles are also accepted.
If physicochemical profiling is needed, it is possible to import up to 999 structures from an SDfile directly into the History window to generate physicochemical properties for several molecules at a time.
Results of structure optimization or physicochemical prediction can be exported as an SDfile, as a text table, or in an ACD/Labs proprietary format. Direct export to Microsoft Excel is also available.
The software includes the ACD/ChemSketch chemical drawing package that is renowned for its versatile chemical reporting, drawing, and importing capabilities. Generated reports can also be saved as Adobe PDF files, or copied and pasted into Microsoft Office applications, to be retrieved through a Structure Search on a later date.
|
