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Graph Convolutional Neural Networks as "General-Purpose" Property Predictors: The Universality and Limits of Applicability.
Vadim Korolev
Artem Mitrofanov
Alexandru Korotcov
Valery Tkachenko
Published in:
J. Chem. Inf. Model. (2020)
Keyphrases
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directed acyclic graph
general purpose
convolutional neural networks
directed graph
convolutional network
special purpose
cellular automata
programming language
domain specific
real world
neural network
random walk
graph representation
graph theoretic
tightly coupled
anti monotonic
data sets