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Table 7 Test performance of 7 target class-specific RF activity prediction models on the benchmark dataset

From: LigTMap: ligand and structure-based target identification and activity prediction for small molecular compounds

Target class Pearson’s correlation coefficient RMSE (− log M)
Bromodomain 0.95 0.65
Ligase 0.88 0.99
HIV 0.83 0.44
Carbonic anhydrase 0.57 1.92
TB 0.72 2.71
Beta-secretase 0.31 0.49
Kinase 0.18 1.62
Average 0.63 1.26