AINeutralarXiv – CS AI · 9h ago6/10
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From Feasible to Practical: Pareto-Optimal Synthesis Planning
Researchers introduce MORetro*, a multi-objective optimization algorithm for computer-aided synthesis planning that generates Pareto-optimal routes balancing cost, sustainability, toxicity, and yield. This approach moves beyond single-route solutions to provide chemists with practical trade-off alternatives aligned with real-world industrial decision-making.