Optimizing molecules using efficient queries from property evaluations

Samuel C. Hoffman, Vijil Chenthamarakshan, Kahini Wadhawan, Pin-Yu Chen, Payel Das. Optimizing molecules using efficient queries from property evaluations. Nat. Mach. Intell., 4(1):21-31, 2022. [doi]

@article{HoffmanCWCD22,
  title = {Optimizing molecules using efficient queries from property evaluations},
  author = {Samuel C. Hoffman and Vijil Chenthamarakshan and Kahini Wadhawan and Pin-Yu Chen and Payel Das},
  year = {2022},
  doi = {10.1038/s42256-021-00422-y},
  url = {https://doi.org/10.1038/s42256-021-00422-y},
  researchr = {https://researchr.org/publication/HoffmanCWCD22},
  cites = {0},
  citedby = {0},
  journal = {Nat. Mach. Intell.},
  volume = {4},
  number = {1},
  pages = {21-31},
}