Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions

Raquel Rodríguez-Pérez, Jürgen Bajorath. Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions. Journal of Computer-Aided Molecular Design, 35(3):285-295, 2021. [doi]

@article{Rodriguez-Perez21-0,
  title = {Evaluation of multi-target deep neural network models for compound potency prediction under increasingly challenging test conditions},
  author = {Raquel Rodríguez-Pérez and Jürgen Bajorath},
  year = {2021},
  doi = {10.1007/s10822-021-00376-8},
  url = {https://doi.org/10.1007/s10822-021-00376-8},
  researchr = {https://researchr.org/publication/Rodriguez-Perez21-0},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computer-Aided Molecular Design},
  volume = {35},
  number = {3},
  pages = {285-295},
}