Algorithm 1: Algorithm for Fast Superset Testing Input: Tree node N , query bitstring q Output: ∃u ∈ N : u ⊇ q 1 Function testSuperset(N ,q): Practically, we encode the connector vertices in a way such that it is possible for the descriptor to compute fingerprints for the fragments including the connector pair vertices. In our implementation we use atoms of transuranium elements to represent the connector vertices. The main algorithm for substructure search