Configuring banlists

The Banlist page lets you manage chemicals and reactions that should be avoided in retrosynthetic predictions. Entries marked Active are excluded from results in the Interactive Path Planner and Tree Builder.

Accessing the Banlist

• Navigate to the My Banlist page in the ASKCOS UI.
• The page is split into two tabs:
  • Chemicals – banned molecules (by SMILES).
  • Reactions – banned reaction templates or specific reactions.

Adding New Banlist Entries

• Click Add New Entry at the top of the page.
• In the dialog:
  • Choose whether the entry is a chemical or a reaction (tab/option in the dialog).
  • Provide the required identifiers (e.g., SMILES) and a short description.
  • Save to add the entry.
• New entries appear in the corresponding Chemicals or Reactions tab.

Understanding the Table

For each entry, the table shows:

• Active – whether the ban is currently enforced.
• Created – when the entry was added.
• Chemical / Reaction – SMILES or reaction identifier (with a rendered structure for chemicals).
• Description – optional free‑text note.
• Delete – remove the entry from the banlist.

Activating / Deactivating Entries

• Use the Active button in each row:
  • Active (check‑circle icon) – entry is enforced and excluded from planning.
  • Inactive (cancel icon) – entry is kept for reference but not enforced.
• Toggling the button sends an update to the server and refreshes the table.

Filtering Entries

• Use the Filter by status dropdown above the table:
  • All – show every entry.
  • Active – show only enforced bans.
  • Inactive – show entries that are not currently enforced.
• If no entries match the filter, a “No Ban Items” message is shown.

Deleting Entries

• Delete a single entry – click the trash icon in that row.
• Reset the entire banlist – click the Reset button:
  • This deletes all chemical entries.
  • This deletes all reaction entries.
  • Use with care; it cannot be undone from the UI.

Processing Multiple Entries

• Coming Soon