. Author manuscript; available in PMC: 2020 Nov 5.

Published in final edited form as: Environ Sci Technol. 2019 Oct 10;53(21):12793–12802. doi: 10.1021/acs.est.9b03957

Table 4:

LC₅₀ external validation benchmark against TEST-LC₅₀.

	Model Used	Test Set Size	Train Set Size	R²	RMSEⁱ	σ_E lower	σ_Eⁱⁱ	σ_E upper	Percent \|Error\| < 1
Four-day FHM TEST-LC₅₀ test set	TEST-LC₅₀	141	659	0.61	0.74	0.67	0.75	0.84	83.7%
Four-day FHM TEST-LC₅₀ test set	Fast Model	141	2515	0.70	0.65	0.58	0.65	0.74	89.4%
Four-day FHM all chemicals	TEST-LC₅₀	247	659	0.47	1.02	0.93	1.02	1.12	76.9%
Four-day FHM all chemicals	Fast Model	247	2409	0.63	0.86	0.79	0.86	0.94	79.4%
All acute, all fish, all chemicals	TEST-LC₅₀	532	659	0.19	1.14	1.07	1.13	1.20	70.3%
All acute, all fish, all chemicals	Fast Model	532	2124	0.58	0.81	0.76	0.81	0.86	81.4%

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RMSE: Root-mean-square error

ⁱⁱ

σ_E: Standard deviation of error