Measuring Chemical LLM robustness to molecular representations: a SMILES variation-based framework
Abstract The recent integration of natural language processing into chemistry has advanced drug discovery. Molecule representations in language models (LMs) are crucial to enhance chemical understanding. We explored the ability of models to match the same chemical structures despite their different...
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| Principais autores: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
BMC
2025-10-01
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| coleção: | Journal of Cheminformatics |
| Assuntos: | |
| Acesso em linha: | https://doi.org/10.1186/s13321-025-01079-0 |
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