Drug–target affinity prediction using graph neural network and contact maps

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Benchmark	Model	Rank	Results
drug-discovery-on-bindingdb	DGraphDTA	#4	AUC: 0.921
drug-discovery-on-lit-pcba-aldh1	DGraphDTA	#4	AUC: 0.679
drug-discovery-on-lit-pcba-esr1-ant	DGraphDTA	#3	AUC: 0.610
drug-discovery-on-lit-pcba-kat2a	DGraphDTA	#4	AUC: 0.633
drug-discovery-on-lit-pcba-mapk1	DGraphDTA	#4	AUC: 0.665