Document Type

Journal Article

Publication Title

Microchemical Journal






School of Medical and Health Sciences / Centre for Precision Health




National Natural Science Foundation of China [Grant No. 31900022, 81871734, 82072380] / Jiang-Su Qing-Lan Project [Year 2020] / Key R & D Program of Jiangsu Province [Grant No. BE2020646] / Research Foundation for Advanced Talents of Guandong Provincial People’s Hospital [Grant No. KJ012021097]


This is an Authors Accepted Manuscript version of an article published by Elsevier in Microchemical Journal. The published article is available at:

Tang, J. W., Lyu, J. W., Lai, J. X., Zhang, X. D., Du, Y. G., Zhang, X. Q., . . . Wang, L. (2023). Determination of Shigella spp. via label-free SERS spectra coupled with deep learning. Microchemical Journal, 189, article 108539.


Accurate discrimination of Shigella spp. sits in the core of shigellosis prevention and control. As a label-free method, surface enhanced Raman spectroscopy (SERS) is being intensively investigated for bacterial diagnostics. In this study, we developed a novel method for rapid and accurate discrimination of Shigella spp. via label-free SERS coupling with multiscale deep-learning method. In particular, SERS spectral deconvolution was used to generate unique barcodes, revealing subtle differences in molecular composition between Shigella spp. Four supervised learning models based on Random Forest (RF), Support Vector Machine (SVM), Convolutional Neural Network (CNN), and One-Dimensional Multi-Scale CNN (1DMSCNN) were constructed and assessed for their predictive capacities of Shigella spp. The results showed that 1DMSCNN achieved the best performance, which could quickly distinguish four Shigella spp. accurately. Finally, we built a software embedded with 1DMSCNN model to predict raw SERS spectra of Shigella spp., which is freely available at



Creative Commons License

Creative Commons Attribution-Noncommercial-No Derivative Works 4.0 License
This work is licensed under a Creative Commons Attribution-Noncommercial-No Derivative Works 4.0 License.

Available for download on Monday, June 30, 2025

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