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Updated: May 28, 2025

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基于机器学习的SERS化学空间用于未经训练的分子结构和光谱的双向预测

Jaslyn Ru Ting Chen1, Emily Xi Tan1, Jingxiang Tang2

  • 1School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 21 Nanyang Link, Singapore 637371, Singapore.

Journal of the American Chemical Society
|February 14, 2025
PubMed
概括

这项研究介绍了表面增强拉曼散射 (SERS) 光谱的机器学习 (ML) 模型. 对于未知分子,ML模型可以准确地预测SERS光谱中的分子结构,反之亦然.

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