Spectral data, selected results and analysis code for Artificial Intelligence Workflows for SERS Analysis: From Molecular Identification to Multi-Analyte Quantification

This record contains spectral datasets, selected results and analysis code associated with the five contributions of the doctoral thesis Artificial Intelligence Workflows for SERS Analysis: From Molecular Identification to Multi-Analyte Quantification. The files are organised by contribution (C1–C5). The datasets and results in the data/ directories, together with the spectral datasets in spectra_*.zip, are licensed under CC BY 4.0. The source code in the code/ directories is licensed under the MIT License.