@incollection{Raschka2018Automated,
  title={Automated Inference of Chemical Discriminants of Biological Activity},
  author={Raschka, Sebastian and Scott, Anne M and Huertas, Mar and Li, Weiming and Kuhn, Leslie A},
  booktitle={Computational Drug Discovery and Design},
  pages={307--338},
  year={2018},
  publisher={Springer}
}