Out-of-the-box deep learning prediction of pharmaceutical properties by broadly learned knowledge-based molecular representations

Wan Xiang Shen, Xian Zeng, Feng Zhu 0004, Ya-Li Wang, Chu Qin, Ying Tan, Yu Yang Jiang, Yu Zong Chen. Out-of-the-box deep learning prediction of pharmaceutical properties by broadly learned knowledge-based molecular representations. Nat. Mach. Intell., 3(4):334-343, 2021. [doi]

@article{ShenZZWQTJC21,
  title = {Out-of-the-box deep learning prediction of pharmaceutical properties by broadly learned knowledge-based molecular representations},
  author = {Wan Xiang Shen and Xian Zeng and Feng Zhu 0004 and Ya-Li Wang and Chu Qin and Ying Tan and Yu Yang Jiang and Yu Zong Chen},
  year = {2021},
  doi = {10.1038/s42256-021-00301-6},
  url = {https://doi.org/10.1038/s42256-021-00301-6},
  researchr = {https://researchr.org/publication/ShenZZWQTJC21},
  cites = {0},
  citedby = {0},
  journal = {Nat. Mach. Intell.},
  volume = {3},
  number = {4},
  pages = {334-343},
}