Geometric graph learning with extended atom-types features for protein-ligand binding affinity prediction
Md Masud Rana, Duc Duy Nguyen
Topics & Concepts
Computer scienceBenchmark (surveying)Machine learningArtificial intelligenceGraphDrug discoveryProtein ligandData miningTheoretical computer scienceChemistryGeographyGeodesyOrganic chemistryBiochemistryComputational Drug Discovery MethodsProtein Structure and DynamicsChemical Synthesis and Analysis