Table 4.

Calibration models and accompanying statistics.

Model number	Model type	Equation	Statistics
1	OLS	R M40% = (−0.17 ± 0.09) + (0.44 ± 0.04)log⁡K OW	R 2 = 0.8067, S.D. = 0.22, P < 10−4, n = 28
2	OLS	R M45% = (−0.17 ± 0.08)+(0.38 ± 0.04)log⁡K OW	R 2 = 0.7882, S.D. = 0.20, P < 10−4, n = 28
3	OLS	R M50% = (−0.32 ± 0.09)+(0.37 ± 0.04)log⁡K OW	R 2 = 0.7666, S.D. = 0.20, P < 10−4, n = 28
4	OLS	R M55% = (−0.34 ± 0.09)+(0.29 ± 0.04)log⁡K OW	R 2 = 0.6521, S.D. = 0.15, P < 10−4, n = 28
5	OLS	R M 0 = (0.3 ± 0.2)+(0.83 ± 0.06)log⁡K OW	R 2 = 0.8857, S.D. = 0.33, P < 10−4, n = 28
6	OLS	b = (1.2 ± 0.2)+(0.98 ± 0.08)log⁡K OW	R 2 = 0.8388, S.D. = 0.31, P < 10−4, n = 28
7	PCR	log⁡K OW = 0.58 R M40% + 0.63 R M45% + 0.62 R M50% − 0.95 R M55%	RMSEC = 0.375; R Cal 2 = 0.8502
			RMSECV= 0.418; R CV 2 = 0.8146