@inproceedings{agraphconvolutionalneuralnetworkmodel,
  title = {A graph-convolutional neural network model for the prediction of chemical reactivity},
  author = {Connor W. Coley and Wengong Jin and Luke Rogers and Timothy F. Jamison and Tommi S. Jaakkola and William H. Green and Regina Barzilay and Klavs F. Jensen},
  year = {2018},
  booktitle = {Chemical Science 2018 11},
  url = {https://pubs.rsc.org/en/content/articlelanding/2019/sc/c8sc04228d},
}