Christian Tonnelier, Philippe Jauffret ∗, Thierry Hanser, Gérard Kaufmann
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Machine learning of generic reactions: 3. an efficient algorithm for maximal common substructure determination
In the context of automatic knowledge acquisition for computer-assisted synthesis planning, this paper presents an efficient algorithm for the identification of the maximal common substructures between reaction graphs. The terms of the problem are first completely specified. Then, the method used to solve it is presented and developed step by step. The formal algorithm is proposed as an appendix.
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