Prediction of Natural Product Classes Using Machine Learning and 13C NMR Spectroscopic Data.
Saúl H. Martínez-TreviñoVíctor Uc-CetinaMaría A. Fernández-HerreraGabriel MerinoPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- data sets
- machine learning
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- statistical analysis
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- data mining techniques
- training data
- original data
- background knowledge
- high dimensional data
- computer systems
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- high quality
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- prior knowledge
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- neural network
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