A survey of drug-target interaction and affinity prediction methods via graph neural networks
Yue Zhang, Yuqing Hu, Na Han, Aqing Yang, Xiaoyong Liu, Hongmin Cai
Topics & Concepts
Computer scienceGraphDrug targetArtificial intelligenceArtificial neural networkMachine learningDrug discoveryTheoretical computer scienceBioinformaticsChemistryBiologyBiochemistryComputational Drug Discovery MethodsProtein Structure and DynamicsBioinformatics and Genomic Networks