AI RESEARCH
ConRetroBert: EMA Stabilized Dual Encoders for Template-Based Single-Step Retrosynthesis
arXiv CS.LG
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ArXi:2605.12736v1 Announce Type: new Template based single step retrosynthesis predicts reactants by selecting and applying an explicit reaction template, making each prediction traceable to a chemical transformation rule. This is useful for synthesis planning, but template based methods are often viewed as less competitive than template free models because template prediction is commonly formulated as global classification over a long tailed rule library. We argue that this weakness is not inherent to templates, but to the learning formulation.