Skip to main content

Table 3 Experimental results in the unknown drug data sets from Davis

From: GeneralizedDTA: combining pre-training and multi-task learning to predict drug-target binding affinity for unknown drug discovery

Model MSE \(R^{2}\)
DeepDTA 1.0271 0.1454
GraphDTA 0.8872 0.2037
SAGDTA 1.1324 0.1654
MGraphDTA 0.8532 0.2287
Our method (\(\lambda _{\text{ atom } }=0\)) 1.2764 0.1512
Our method (\(\lambda _{\text{ atom } }=0.5\)) 0.8467 0.2402
Our method (\(\lambda _{\text{ atom } }=1.0\)) 0.9041 0.1886
Our method (\(\lambda _{\text{ atom } }=2.0\)) 0.8603 0.2279