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Infrared Spectrum Analysis of Organic Molecules with Neural Networks Using Standard Reference Data Sets in Combination with Real-World Data

Dev Punjabi, Yu-Chieh Huang, Laura Holzhauer,Pierre Tremouilhac,Pascal Friederich,Nicole Jung,Stefan Bräse

Journal of Cheminformatics(2025)

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关键词
Infrared spectra,Machine learning,Data analysis,Open databases
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