@misc{graff2020accelerating,
  title={Accelerating high-throughput virtual screening through molecular pool-based active learning},
  author={David E. Graff and Eugene I. Shakhnovich and Connor W. Coley},
  year={2020},
  eprint={2012.07127},
  archivePrefix={arXiv},
  primaryClass={q-bio.QM},
  doi={10.1039/d0sc06805e},
  url={https://arxiv.org/abs/2012.07127}
}