MMORF provides a modular multi-agent framework for multi-objective retrosynthesis planning, with MASIL and RFAS systems showing strong safety, cost, and success metrics on a new 218-task benchmark.
and Clevert, Djork-Arné and Preuss, Mike and Genheden, Samuel , year =
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MORetro* uses weighted scalarization and BO-informed sampling on multi-objective A* search to produce Pareto-optimal synthesis routes with optimality guarantees for fixed single-step models.
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MMORF: A Multi-agent Framework for Designing Multi-objective Retrosynthesis Planning Systems
MMORF provides a modular multi-agent framework for multi-objective retrosynthesis planning, with MASIL and RFAS systems showing strong safety, cost, and success metrics on a new 218-task benchmark.
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From Feasible to Practical: Pareto-Optimal Synthesis Planning
MORetro* uses weighted scalarization and BO-informed sampling on multi-objective A* search to produce Pareto-optimal synthesis routes with optimality guarantees for fixed single-step models.