A graph-convolutional neural network model for the prediction of chemical reactivity
Connor W. Coley(Massachusetts Institute of Technology), Klavs F. Jensen(Massachusetts Institute of Technology), Timothy F. Jamison(Massachusetts Institute of Technology), Tommi Jaakkola(Massachusetts Institute of Technology), William H. Green(Massachusetts Institute of Technology), Regina Barzilay(Massachusetts Institute of Technology), Luke Rogers(Moscow Institute of Thermal Technology), Wengong Jin(Massachusetts Institute of Technology)
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