From Feasible to Practical: Pareto-Optimal Synthesis Planning 事件

From Feasible to Practical: Pareto-Optimal Synthesis Planning arXiv:2605.07521v2 Announce Type: replace Abstract: 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