Table 9.

Statistical measures of prediction performances obtained on SC-2 test sets with ANN based on 188 compounds of the training dataset.

Training Datasets	100-Compound Test Set 1				32-Compound Test Set 2
	R 2	RMSE	Bias	% ± 0.5 Log	R 2	RMSE	Bias	% ± 0.5 Log
188-compound, without Tmp	0.37	1.01	0.252	39	0.68	1.21	0.122	22
188-compound, with Tmp	0.39	0.99	0.244	38	0.69	1.18	0.114	22