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. Author manuscript; available in PMC: 2021 Nov 1.

Published in final edited form as: Comput Toxicol. 2020 Sep 1;16:100135. doi: 10.1016/j.comtox.2020.100135

Table 3.

Performance metrics for the TEST (1619 substances) and TIMES (503 substances) models for the respective entire datasets

	TEST	TIMES
RMSE	0.642	0.62
R²	0.296	0.54
MAE	0.469	0.447