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Structure-Based Drug-Drug Interaction Detection via Expressive Graph Convolutional Networks and Deep Sets (Student Abstract)

Mengying Sun, Fei Wang, Olivier Elemento, Jiayu Zhou

2020Proceedings of the AAAI Conference on Artificial Intelligence25 citationsDOIOpen Access PDF

Abstract

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.

Topics & Concepts

Discriminative modelComputer scienceGraphPermutation (music)Artificial intelligenceInvariant (physics)Pattern recognition (psychology)Theoretical computer scienceMathematicsPhysicsMathematical physicsAcousticsComputational Drug Discovery Methods
Structure-Based Drug-Drug Interaction Detection via Expressive Graph Convolutional Networks and Deep Sets (Student Abstract) | Litcius