AI RESEARCH
From Feasible to Practical: Pareto-Optimal Synthesis Planning
arXiv CS.AI
•
ArXi:2605.07521v1 Announce Type: new Current computer-aided synthesis planning (CASP) methods often treat retrosynthesis as solved once a single feasible route is identified, focusing primarily on convergence or shortest-path metrics. This view is misaligned with real-world practice, where chemists must balance competing objectives such as cost, sustainability, toxicity, and overall yield. To address this, we formulate synthesis planning as a multi-objective search problem and