Priority based functional group identification of organic molecules using machine learning
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Additional excerpts
...We have implemented four supervised machine learning algorithms such as Mulitlayer Perceptron (MLP), Support Vector Machine (SVM), K-Nearest Neighbors (KNN) and Random Forest Classifier (RFC), and compared the results for this problem [5]....
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3,824 citations
"Priority based functional group ide..." refers background in this paper
...Fourier-transform Infrared (FTIR) spectroscopy is an important, commonly used spectroscopic method for identifying the presence or absence of functional groups within a compound and thereby helps in the structural identification of unknown molecules [2, 4]....
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1,340 citations
"Priority based functional group ide..." refers background in this paper
...Fourier-transform Infrared (FTIR) spectroscopy is an important, commonly used spectroscopic method for identifying the presence or absence of functional groups within a compound and thereby helps in the structural identification of unknown molecules [2, 4]....
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