Table 1.

Prediction accuracy of the CatBoost algorithm tested on ONEIL data

	Correlation	R 2	RMSE
INHIBITION	0.98	0.97	7.12
HSA	0.79	0.62	8.03
ZIP	0.89	0.80	6.55
LOEWE	0.57	0.32	9.68
BLISS	0.87	0.75	7.65