Hierarchical graph representation learning for the prediction of drug-target binding affinity
Zhaoyang Chu, Feng Huang, Haitao Fu, Quan Yuan, Xionghui Zhou, Shichao Liu, Wen Zhang
Topics & Concepts
Computer scienceInferenceGraphBenchmark (surveying)Representation (politics)Similarity (geometry)Machine learningArtificial intelligenceDrug targetDrug discoveryData miningTheoretical computer scienceChemistryGeographyLawPoliticsImage (mathematics)Political scienceGeodesyBiochemistryComputational Drug Discovery MethodsProtein Structure and DynamicsMachine Learning in Materials Science