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An effective framework for predicting drug–drug interactions based on molecular substructures and knowledge graph neural network

Siqi Chen, Ivan Semenov, Fengyun Zhang, Yang Yang, Jie Geng, Xuequan Feng, Qinghua Meng, Kaiyou Lei

2023Computers in Biology and Medicine55 citationsDOI

Topics & Concepts

Computer scienceDrugComponent (thermodynamics)Machine learningComplementarity (molecular biology)Artificial intelligenceGraphArtificial neural networkCheminformaticsTheoretical computer scienceBioinformaticsPharmacologyMedicineGeneticsBiologyPhysicsThermodynamicsComputational Drug Discovery MethodsMachine Learning in Materials ScienceMetabolomics and Mass Spectrometry Studies
An effective framework for predicting drug–drug interactions based on molecular substructures and knowledge graph neural network | Litcius