@article{efficientchemicalspaceexplorationusing,
  title = {Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation},
  author = {Yan Xiang and Yu-Hang Tang and Zheng Gong and Hongyi Liu and Liang Wu and Guang Lin and Huai Sun},
  year = {2022},
  eprint = {2209.00514},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2209.00514v1},
}