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Structure-Based Drug-Drug Interaction Detection via Expressive Graph Convolutional Networks and Deep Sets

20 Jan 2022AAAI 2022 1archive 2025-07-28

Mengying Sun, Fei Wang, Olivier Elemento, Jiayu Zhou

In this work, we proposed a DDI detection method based on molecular structures using graph convolutional networks and deep sets. We proposed a more discriminative convolutional layer compared to conventional GCN and achieved permutation invariant prediction without losing the capability of capturing complicated interactions.

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AstraZeneca/chemicalx pytorchApache-2.0 report

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