DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data

Hyun Woo Kim, Chen Zhang, Raphael Reher, Mingxun Wang 0001, Kelsey L. Alexander, Louis-Félix Nothias, Yoo Kyong Han, Hyeji Shin, Ki Yong Lee, Kyu Hyeong Lee, Myeong-Ji Kim, Pieter C. Dorrestein, William H. Gerwick, Garrison W. Cottrell. DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data. J. Cheminformatics, 15(1):71, December 2023. [doi]

@article{KimZRWANHSLLKDGC23,
  title = {DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data},
  author = {Hyun Woo Kim and Chen Zhang and Raphael Reher and Mingxun Wang 0001 and Kelsey L. Alexander and Louis-Félix Nothias and Yoo Kyong Han and Hyeji Shin and Ki Yong Lee and Kyu Hyeong Lee and Myeong-Ji Kim and Pieter C. Dorrestein and William H. Gerwick and Garrison W. Cottrell},
  year = {2023},
  month = {December},
  doi = {10.1186/s13321-023-00738-4},
  url = {https://doi.org/10.1186/s13321-023-00738-4},
  researchr = {https://researchr.org/publication/KimZRWANHSLLKDGC23},
  cites = {0},
  citedby = {0},
  journal = {J. Cheminformatics},
  volume = {15},
  number = {1},
  pages = {71},
}