Filters

Filters allow you to exclude unwanted pathways from the results, or restrict the results to pathways with only desired features. You can use any combination of filters, such as structures, substructures, or reactions.

To access this feature, click on the ‘Filter’ icon in the left panel, or on the three-dot menu of the corresponding molecule or reaction for exact structure or exact reaction filters.

When filters are applied, the ‘Filter’ icon on the left panel will show an orange dot, as a reminder.

Filters are applied permanently until you remove them, or click on ‘Reset Filters’ to remove all of them

Filter by Structure

You may filter structures to remove unwanted molecules or functional groups, or to focus on a common intermediate. Structures or substructures may either be drawn in a molecule editor, or an exact molecule may be added directly from the results.

Using the molecule editor

• Open the ‘Filter’ tab on the left panel

• Click on the ‘+’ sign next to ‘Structures’ to open the molecule editor
• Draw the structure or substructure you want to filter in the molecule editor
• Select ‘As drawn’ to filter the exact structure, or ‘As substructure’ to filter all structures matching the       substructure
• Alternatively, select ‘Similar’, and pick a number to restrict all similar compounds
• In the drop-down menu, select ‘Exclude’ if you want to remove the structure from the results, or ‘Limit to’ to see only results containing it
• Click ‘Apply Filter’

• The results are filtered accordingly 
  

The filtered structures are listed in the left panel ‘Filter’ tab. Hover over the structure thumbnail to see a bigger image. 

You can modify a filtered structure by clicking on the structure thumbnail to open the molecule editor. Remove a filtered structure by clicking on the ‘X’ that appears when hovering over the structure thumbnail.

From a molecule three-dot menu

You can also directly filter an exact structure from the result graph

• Open the three-dot menu of the corresponding molecule
• At the bottom of the menu, select ‘Exclude’ or ‘Limit to’ in the drop-down menu
• Click on the ‘+’ sign

• The results are filtered accordingly

The filtered structures are listed in the left panel ‘Filter’ tab. Hover over the structure thumbnail to see a bigger image.

You can modify a filtered structure by clicking on the structure thumbnail to open the molecule editor. Remove a filtered structure by clicking on the ‘X’ that appears when hovering over the structure thumbnail.

Filter by Reaction

You can use keywords to filter general types of reactions or filter a specific reaction from the corresponding reaction three-dot menu.

Using keywords

• Open the ‘Filter’ tab on the left panel
• Click on the ‘Molecules and Reactions Filters’ icon
• Click on the ‘+’ sign next to ‘Keyword’ to open a text bar
• Write down a keyword or a series of words from the reaction name or the reaction conditions

• In the drop-down menu, select ‘Exclude’ if you want to remove the keywords from the results, or ‘Limit to’ to see only results containing it
• Click ‘Apply Filter’

• The results are filtered accordingly
  

The filtered structure is listed in the left panel. Click on the ‘X’ next to the keyword to remove the filter.

From a reaction three-dot menu

You can also filter an exact reaction by filtering it from the result graph.

• Open the three-dot menu of the corresponding reaction 
• At the bottom of the menu, select ‘Exclude’ or ‘Limit to’ in the drop-down menu
• In case the selected reaction is the last reaction to make the target compound, you have the option to consider this reaction only as a last step by checking ‘Last reaction only’
• Click on the ‘+’ sign

• The results are filtered accordingly

The filtered exact reactions are listed in the left panel ‘Filter’ tab. Hover over the reaction name to see the reaction scheme.

You can modify a filtered structure by clicking on the structure thumbnail to open the molecule editor. Click on the ‘X’ next to the keyword reaction name to remove the filter.