Structure-property maps with Kernel principal covariates regression

Benjamin A. Helfrecht, Rose K. Cersonsky, Guillaume Fraux, Michele Ceriotti. Structure-property maps with Kernel principal covariates regression. Mach. Learn. Sci. Technol., 1(4):45021, 2020. [doi]

@article{HelfrechtCFC20,
  title = {Structure-property maps with Kernel principal covariates regression},
  author = {Benjamin A. Helfrecht and Rose K. Cersonsky and Guillaume Fraux and Michele Ceriotti},
  year = {2020},
  doi = {10.1088/2632-2153/aba9ef},
  url = {https://doi.org/10.1088/2632-2153/aba9ef},
  researchr = {https://researchr.org/publication/HelfrechtCFC20},
  cites = {0},
  citedby = {0},
  journal = {Mach. Learn. Sci. Technol.},
  volume = {1},
  number = {4},
  pages = {45021},
}