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

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

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

ISSN: 1758-2946