SERS-ATB: a comprehensive database server for antibiotic SERS spectral visualization and deep-learning identification.

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Tác giả: Hui-Jin Chen, Jie Chen, Yi-Wen Liao, Xin Liu, Jia-Wei Tang, Liang Wang, Xin-Ru Wen, Quan Yuan, Wen-Wen Zhang

Ngôn ngữ: eng

Ký hiệu phân loại: 133.594 Types or schools of astrology originating in or associated with a

Thông tin xuất bản: England : Environmental pollution (Barking, Essex : 1987) , 2025

Mô tả vật lý:

Bộ sưu tập: NCBI

ID: 727291

The rapid and accurate identification of antibiotics in environmental samples is critical for addressing the growing concern of antibiotic pollution, particularly in water sources. Antibiotic contamination poses a significant risk to ecosystems and human health by contributing to the spread of antibiotic resistance. SERS, known for its high sensitivity and specificity, is a powerful tool for antibiotic identification. However, its broader application is constrained by the lack of a large-scale antibiotic spectral database crucial for environmental and clinical use. To address this need, we systematically collected 12,800 SERS spectra for 200 environmentally relevant antibiotics and developed an open-access, web-based database at http://sers.test.bniu.net/. We compared six machine learning algorithms with a CNN model, which achieved the highest accuracy at 98.94%, making it the preferred database model. For external validation, CNN demonstrated an accuracy of 82.8%, underscoring its reliability and practicality for real-world applications. The SERS database and CNN prediction model represent a novel resource for environmental monitoring, offering significant advantages in terms of accessibility, speed, and scalability. This study establishes the large-scale, public SERS spectral databases for antibiotics, facilitating the integration of SERS into environmental programs, with the potential to improve antibiotic detection, pollution management, and resistance mitigation.
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