MORetro* applies multi-objective A* search with weighted scalarization and BO-informed sampling to produce Pareto fronts of retrosynthetic routes with optimality guarantees when the single-step model is admissible.
Self-Improved Retrosynthetic Planning
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From Feasible to Practical: Pareto-Optimal Synthesis Planning
MORetro* applies multi-objective A* search with weighted scalarization and BO-informed sampling to produce Pareto fronts of retrosynthetic routes with optimality guarantees when the single-step model is admissible.