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Identifies bio-molecular interactions via Raman spectroscopy, suggesting advancements in automatic screening methods.
With the aid of Raman spectroscopy, the vibrational spectrum of molecules can be examined. Functional groups like amino, carboxyl or hydroxyl groups can be identified through characteristic vibrational frequencies. An automatic system is necessary in order to use RAMAN spectroscopy for high-throughput screening. We describe in this paper our novel method for automatic RAMAN spectra identification. The method is based on a featureless representation. The representation calculated based on delta modulation. Is a 0/1 sequences which can be used for comparison between different spectra's. Three different similarity measures, the Hamming distance, the Levenshtein distance, and the Damerau-Levenshtein distance, have been studied. The pros and cons of these three distances are discussed in this paper. Finally, we present a novel and powerful method for spectrometer interpretation.
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Petra Perner (2017) studied this question.
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