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Updated: Jan 11, 2026

From a Natural Product to Its Biosynthetic Gene Cluster: A Demonstration Using Polyketomycin from Streptomyces diastatochromogenes Tü6028
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使用机器学习和商业大语言模型识别氨酸衍生抗生素的结构-活性关系

Alexander Lathem1,2, Angela Medvedeva2, Ana Luisa L Mendes Dos Santos2

  • 1Smalley-Curl Institute, Rice University, 6100 Main Street, Houston, Texas 77005, United States.

Journal of chemical information and modeling
|November 10, 2025
PubMed
概括

开发新的抗生素对于打击抗菌素耐药性至关重要. 这项研究使用机器学习和大型语言模型来分析分子,发现正电荷和脂性是抗生素有效性的关键.

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