Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling

Zihao Wang, Yageng Zhou, Teng Zhou, Kai Sundmacher. Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling. Computers & Chemical Engineering, 160:107739, 2022. [doi]

@article{WangZZS22,
  title = {Identification of optimal metal-organic frameworks by machine learning: Structure decomposition, feature integration, and predictive modeling},
  author = {Zihao Wang and Yageng Zhou and Teng Zhou and Kai Sundmacher},
  year = {2022},
  doi = {10.1016/j.compchemeng.2022.107739},
  url = {https://doi.org/10.1016/j.compchemeng.2022.107739},
  researchr = {https://researchr.org/publication/WangZZS22},
  cites = {0},
  citedby = {0},
  journal = {Computers & Chemical Engineering},
  volume = {160},
  pages = {107739},
}