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jablonkagroup/rhea_db_predictions

Dataset Details Dataset Description The open reaction database is a database of chemical reactions and their conditions Curated by: License: CC BY SA 4.0 Dataset Sources original data source Citation BibTeX: @article{Bansal_2021, doi = {10.1093/nar/gkab1016}, url = {https://doi.org/10.1093%2Fnar%2Fgkab1016}, year = 2021, month = {nov}, publisher = {Oxford University Press ({OUP})}, volume = {50}, number = {D1}… See the full description on the dataset page: https://huggingface.co/datasets/jablonkagroup/rhea_db_predictions.

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Dataset Details

Dataset Description

The open reaction database is a database of chemical reactions and their conditions

—Curated by:
—License: CC BY SA 4.0

Dataset Sources

—original data source

Citation

BibTeX:

bibtex

@article{Bansal_2021,
  doi = {10.1093/nar/gkab1016},
  url = {https://doi.org/10.1093%2Fnar%2Fgkab1016},
  year = 2021,
  month = {nov},
  publisher = {Oxford University Press ({OUP})},
  volume = {50},
  number = {D1},
  pages = {D693--D700},
  author = {Parit Bansal and Anne Morgat and Kristian B Axelsen
  and Venkatesh Muthukrishnan and Elisabeth Coudert and Lucila Aimo
  and Nevila Hyka-Nouspikel and Elisabeth Gasteiger and Arnaud Kerhornou
  and Teresa Batista Neto and Monica Pozzato and Marie-Claude Blatter
  and Alex Ignatchenko and Nicole Redaschi and Alan Bridge},
  title = {Rhea, the reaction knowledgebase in 2022},
  journal = {Nucleic Acids Research}
}
@article{Alc_ntara_2011,
  doi = {10.1093/nar/gkr1126},
  url = {https://doi.org/10.1093%2Fnar%2Fgkr1126},
  year = 2011,
  month = {nov},
  publisher = {Oxford University Press ({OUP})},
  volume = {40},
  number = {D1},
  pages = {D754--D760},
  author = {Rafael Alc{\'{a}}ntara and Kristian B. Axelsen
  and Anne Morgat and Eugeni Belda and Elisabeth Coudert
  and Alan Bridge and Hong Cao and Paula de Matos and Marcus Ennis
  and Steve Turner and Gareth Owen and Lydie Bougueleret
  and Ioannis Xenarios and Christoph Steinbeck},
  title = {Rhea{\textemdash}a manually curated resource of biochemical reactions},
  journal = {Nucleic Acids Research}
}