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· DOI 10.1186/s13321-025-01076-3

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cs.AI 1

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2026 1

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From Feasible to Practical: Pareto-Optimal Synthesis Planning

cs.AI · 2026-05-08 · unverdicted · novelty 6.0

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.

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