LAUSR

Cross-dependent graph neural networks for molecular property prediction

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1 Published in 2022 at "Bioinformatics"

DOI: 10.1093/bioinformatics/btac039

Abstract: MOTIVATION The crux of molecular property prediction is to generate meaningful representations of the molecules. One promising route is to exploit the molecular graph structure through Graph Neural Networks (GNNs). Both atoms and bonds significantly… read more here.

Keywords: property prediction; neural networks; cross dependent; graph neural ... See more keywords