CKDTA: A chemical knowledge-enhanced framework for drug–target affinity prediction
Xingran Zhao, Yanbu Guo, Bingyi Wang, Weihua Li
Topics & Concepts
Computer scienceGeneralizationBenchmark (surveying)LimitingExploitSequence (biology)Theoretical computer scienceSemantics (computer science)GraphDrug discoveryDependency graphDependency (UML)Chemical spaceMachine learningArtificial intelligenceRepresentation (politics)Data miningFace (sociological concept)Key (lock)Data integrationScalabilityData structureExtension (predicate logic)Graph theoryAlgorithmComputational Drug Discovery MethodsPharmacogenetics and Drug MetabolismProtein Structure and Dynamics