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Representing Polymers as Periodic Graphs with Learned Descriptors for Accurate Polymer Property Predictions.
Evan R. Antoniuk
Peggy Li
Bhavya Kailkhura
Anna M. Hiszpanski
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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explicitly represented
computationally efficient
highly accurate
graph properties
high accuracy
shape descriptors
graph structure
graph partitioning
graph model
room temperature
learned models
random graphs
sift descriptors
graph theoretic
data sets
weighted graph
high quality
neural network