Convolutional Networks on Graphs for Learning Molecular ...

a separate output weight matrix of size F Lfor each layer, as well as a set of hidden-to-hidden weight matrices of size F Fat each layer, one for each possible number of bonds an atom can ... with solubility, and is most activated by fragments containing a hydrophilic R-OH group, a standard indicator of solubility. The feature shown in the ...

  Network, Matrix, Graph, Convolutional, Hydrophilic, Convolutional networks on graphs for