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Updated: Jan 6, 2026

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F-Site:通过基于两个阶段的变压器模型识别小分子药物的化模式

Yichu Wu1, Xiang Lian1,2, Shuai Tao1

  • 1Faculty of Chemical Engineering and Energy Technology, Shanghai Institute of Technology, Shanghai 201418, China.

Journal of chemical information and modeling
|November 5, 2025
PubMed
概括

一个新的计算工具F-site准确地预测了药物分子中的化位点. 这种基于变压器的模型通过减少新型化化合物的实验试验和错误来加速药物发现.

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Bromination and chlorination of aromatic rings by electrophilic aromatic substitution reactions are easily achieved, but fluorination and iodination are difficult to achieve. Fluorine is so reactive that its reaction with benzene is difficult to control, resulting in poor yields of monofluoroaromatic products. To address this, Selectfluor reagent is used as a fluorine source in which a fluorine atom is bonded to a positively charged nitrogen.
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