Example Programs: FINDPATH

What it does:

Uses THOR crossreferences to find reaction schemes.

• Given a target molecule, finds all reactions with the molecule as product.
• From the reactions discovered, gets the reactant molecules.
• If a reactant is available (from ACD) doesn't pursue it.
• If a reactant is not available, treats it as the new product and tries again.

The net result is a depth-first search over a Thor database. It exhaustively finds paths to desired targets.

What it illustrates:

• Crossreferences in THOR.

• An approach for Scheme processing.

• It works because Reaction literature is not highly connected, except to some common starting materials. These starting materials are terminal nodes in the tree.