RetroReasoner
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RetroReasoner: A Reasoning LLM for Strategic Retrosynthesis Prediction
Announce Type: replace Abstract: Retrosynthesis prediction aims to identify reactants that can synthesize a given product molecule. Although molecular large language models (LLMs) have recently shown promising results, most existing methods either generate reactants directly or provide only generic product-level analysis, without explicitly reasoning about bond-disconnection strategies that justify specific reactant choices.