Do you ever…

… want a way to exclude pathways containing undesired molecules or reactions in your SYNTHIA™ analysis results?

When setting up a new analysis, you can instruct SYNTHIA™ to exclude any undesired molecules or chemistry using the Exclude function. Simply click the Exclude & Seek tab at the top of the Analysis Configuration page. The Exclude options are located in the upper section of the page.

Using Exclude, you can eliminate pathways containing:

• Undesired molecules
  
  Type or paste SMILES strings from molecules to exclude in the 'Structures’ text box.
  
  OR, click the Edit Molecule icon to draw the structure in the molecule editor, and click ‘ADD MOLECULE SMILES’. Add as many molecules as you want.
  
  Click ‘SAVE AND CLOSE’ to go back to the main page. 

• Undesired functional groups or Substructures
  
  Paste SMARTS fragments to exclude in the 'Substructures’ text box.
  
  OR,  click the Edit Molecule icon to draw the undesired substructure in the molecule editor, and click ‘ADD SUBSTRUCTURE’. Add as many sub-structures as you need. 
  
  Click ‘SAVE AND CLOSE’ to go back to the main page. 

• Reactions with undesired keywords in their names or conditions
  
  Type or paste keywords, separated by semi-colons, in the 'Keywords’ text box. 
  
  Click ‘SAVE AND CLOSE’ to go back to the main page. 

• Reactions using chemicals that may have potential toxicological effects from the EPA Safer Chemical Ingredients List
  
  Check the checkbox next to the category of chemicals you would like to eliminate.
  
  Hover over each pictogram to see a detailed description of each category.
  >>  Safer Chemical Ingredients List

• Predefined List of undesired Molecules
  
  Lists can be selected from the drop-down menu.

• Predefined List of undesired Molecules
  
  Lists can be selected from the drop-down menu.

Try it for yourself! Set up a new analysis in SYNTHIA™ and exclude undesired molecules or reactions from your search.