Dataset: Machine learning-assisted identification and quantification of hydroxylated metabolites of polychlorinated biphenyls in animal samples

  • Chun Yun Zhang (Creator)
  • Xueshu Li (Creator)
  • Kimberly P. Keil Stietz (Creator)
  • Sunjay Sethi (Creator)
  • Weizhu Yang (Creator)
  • Rachel F. Marek (Creator)
  • Xinxin Ding (Creator)
  • Pamela J. Lein (Creator)
  • Keri C. Hornbuckle (Creator)
  • Hans Joachim Lehmler (Creator)
  • Xinxin Ding (Creator)
  • Pamela Lein (Creator)
  • Hans Joachim Lehmler (Creator)
  • Kimberly P. Keil Stietz (Contributor)

Dataset

Description

In addition, molecular descriptors of 124 MeO-PCBs, including 99 cheminformatics-based descriptors and 6 substitution pattern-based descriptors, and the measured and predicted RRT and MS/MS data of 124 MeO-PCBs are provided in separate csv files.
Date made available2022
PublisherUniversity of Iowa
Date of data productionDec 29 2020 - Mar 16 2021

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