@misc{indiciaeda350fc4a9ee,
  title = {CASTELO: clustered atom subtypes aided lead optimization—a combined machine learning and molecular modeling method},
  author = {Zhang, Leili and Domeniconi, Giacomo and Yang, Chih-Chieh and Kang, Seung-gu and Zhou, Ruhong and Cong, Guojing},
  year = {2021},
  doi = {10.1186/s12859-021-04214-4},
  url = {https://www.osti.gov/biblio/1818647},
  note = {Source identifier: 1818647}
}