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ConRetroBert: EMA Stabilized Dual Encoders for Template-Based Single-Step Retrosynthesis

arXiv cs.LG · 2026-05-14 Cached

This paper presents ConRetroBert, a dual encoder framework for template-based single-step retrosynthesis that uses contrastive pretraining and listwise ranking to improve template prediction accuracy, achieving up to 75.4% top-1 accuracy on the USPTO-50k benchmark while maintaining interpretability.

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