• Corpus ID: 236428138

Identifying the fragment structure of the organic compounds by deeply learning the original NMR data

@article{Li2021IdentifyingTF,
  title={Identifying the fragment structure of the organic compounds by deeply learning the original NMR data},
  author={Chongcan Li and Yong Cong and Weihua Deng},
  journal={ArXiv},
  year={2021},
  volume={abs/2107.11740}
}
We preprocess the raw NMR spectrum and extract key characteristic features by using two different methodologies, called equidistant sampling and peak sampling for subsequent substructure pattern recognition; meanwhile may provide the alternative strategy to address the imbalance issue of the NMR dataset frequently encountered in dataset collection of statistical modeling and establish two conventional SVM and KNN models to assess the capability of two feature selection, respectively. Our… 

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