Underlying State Space:
- States: Molecular substructures containing atoms from the
Empirical Formula.
- Start State: One atom
- Operators: Add an atom to some unbound valence binding of the
current molecular structure.
- Goal States: Molecules which:
- Have all bindings filled
- Use all the atoms in the input formula
- Are chemically stable
- Are plausible for the given mass spectrum.
Problem: This search space is much too large to search exhaustively.
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