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Notation-level confounding: When inconsistent molecular notations mislead chemical language models

arXiv:2505.07139v5 Announce Type: replace Abstract: Chemical language models (CLMs) are increasingly used for molecular design and property prediction. Because these models learn from textual encodings of molecules, differences in how such encodings are generated may affect th...

🔗 Read more: https://arxiv.org/abs/2505.07139

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