ChEBI-20
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Agentic Molecular Recovery via Molecule-Aware Exploration
arXiv:2606.05847v1 Announce Type: new Abstract: Text-guided molecular generation with LLMs often yields invalid SMILES. We argue that invalid drafts should be addressed through a shift from validity-oriented repair to identity-preserving molecular recovery: the objective is not only to restore chemical validity, but also to preserve target-relevant structural cues and recover the molecular identity implied by the description. This perspective reveals the limitations of existing correction...