Example Programs: FINDPATH
What it does:
Uses THOR crossreferences to find reaction schemes.
- Given a target molecule, finds all reactions with the molecule as
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
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.