Design Parameters Section
Applicability: Synapse (core versions 0315+)

Synapse generates candidate chemicals by assembling a given set of groups in all possible combinations. The limits on the total number of groups to use and the total number of rings that may occur in these generated molecular structures are specified in the Design Parameters Section.

The minimum total number of groups that can be used to form candidate chemicals.
The maximum total number of groups that can be used to form candidate chemicals.
The minimum number of rings that must occur in every candidate chemical.
The maximum number of rings that may occur in every candidate chemical.
Example: Specifying design parameters

Each design parameter is an integer greater than or equal to zero. All parameters are editing in the same manner.

  1. Open the MKS Chemical Design Examples document. Save a "working" copy of the document. (See documentation on Copying Documents for details.)
  2. Change to the Combinatorial Designs chapter and navigate to the page displaying the "Example Chemical Design C01".
  3. In the Design Parameters Section click the left mouse button on the Min # Groups field's edit control. The application activates the Enter Minimum Groups dialog.
  4. Enter a value of 6 and, optionally, a comment. Then press the dialog's OK button.
Commands Menu

Clicking the right mouse button within any of the section's field edit controls activates the field's commands menu.

The menu's commands enable you to edit, copy, cut and paste values to and from the edit control. See Common Menu Commands for documentation on these commands.

Related Documentation
Topic Description
Getting Started using Synapse provides a quick tour of Synapse's capabilities including examples of chemical product design.
Designing Chemical Products a short video demonstrating how to use Synapse to design candidate chemicals that satisfy a set of physical property and molecular structure constraints.