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Same molecule, Different Knowledge: Cross-Identifier Binding Failures in LLMs For chemistry

Saadi, Khouloud et al.
arXiv (All) · Papers
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machine-learning
Chemical AI workflows routinely represent the same molecule through multiple co-referring identifiers, including trivial names, IUPAC names, and SMILES, implicitly assuming that these representations provide interchangeable access to an LLM's knowledge. To test this assumption, we first introduce a
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