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Updated: May 12, 2025

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
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SynLlama:用大型语言模型生成可合成的分子及其类似物

Kunyang Sun1, Dorian Bagni1, Joseph M Cavanagh1

  • 1Kenneth S. Pitzer Theory Center and Department of Chemistry.

ArXiv
|May 5, 2025
PubMed
概括

SynLlama是一个精心调整的大型语言模型 (LLM),为新药候选者生成实用的合成途径. 这种人工智能工具通过克服合成挑战并有效地探索更广泛的化学空间来增强小分子药物发现.

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