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. Author manuscript; available in PMC: 2024 Jun 1.

Published in final edited form as: Artif Intell Chem. 2023 Dec 20;2(1):100040. doi: 10.1016/j.aichem.2023.100040

Table 2.

QSAR model statistics for 50 independent runs with different random seeds.

	Training Set			Test Set
	R²	RMSE	MAE	$R_{pred}^{2}$	RMSE_pred	MAE_pred
mean	0.921	0.319	0.244	0.679	0.645	0.482
sd^*	0.003	0.061	0.004	0.028	0.193	0.022
min	0.915	0.305	0.235	0.601	0.579	0.444
median	0.920	0.320	0.244	0.680	0.645	0.480
max	0.927	0.330	0.252	0.733	0.738	0.559

^*

standard deviation.