Login / Signup
Reliable Graph Neural Networks for Drug Discovery Under Distributional Shift.
Kehang Han
Balaji Lakshminarayanan
Jeremiah T. Liu
Published in:
CoRR (2021)
Keyphrases
</>
drug discovery
neural network
chemical compounds
pharmaceutical industry
early stage
scientific data
random walk
systems biology
knowledge discovery
high throughput
virtual screening
connected components
weighted graph
biological systems
data mining tools