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This study presents a neural network-based method for analyzing infrared (IR) spectra to identify functional groups in organic molecules, achieving high classification performance using both the NIST dataset and additional real-world data from Chemotion. The proposed approach is unique as it relies solely on IR data, enhancing its applicability in high-throughput analysis without the need for other analytical measurements. The results demonstrate the potential of open-access research data repositories to im
- Author
- scribd.serve117
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- EN