Heterogeneous Molecular Graph Neural Networks for Predicting Molecule Properties.

Zeren Shui George Karypis

Published in: ICDM (2020)

Keyphrases

neural network
pattern recognition
three dimensional
artificial neural networks
drug discovery
genetic algorithm
desirable properties
graph structure
connected components
structural properties
graph theory
directed graph
bipartite graph
fault diagnosis
structured data
multi layer
fuzzy logic