Convolutional Embedding of Attributed Molecular Graphs for Physical Property Prediction

Document Details

Document Type
Pub Defense Publication
Publication Date
Jul 25, 2017
Source ID
10.1021/acs.jcim.6b00601

Entities

People

  • Connor W. Coley
  • Klavs F. Jensen
  • Regina Barzilay
  • Tommi S. Jaakkola
  • William H. Green

Organizations

  • Defense Advanced Research Projects Agency
  • Division of Graduate Education
  • Massachusetts Institute of Technology