ABSTRACT
However, the value of the regression coefficient of Amax, in the new model (Equation 12.1) is almost eight units greater than in the earlier study (Equation 12.2).
Evaluation of all 215 compounds with measurable toxicity, reported by Schultz (1999), with the newly calculated Amax showed that only one compound (4-chloro-3,5-dinitrobenzonitrile, Res. = 1.16, St. res. = 3.24) is a statistically significant outlier and this was excluded from the data set. The resulting model is shown below:
log (IGC50)–1 = 0.513 (0.026) (log Kow) + 18.40 (0.94) (Amax) – 6.50 (0.31) (12.3)
n = 214, R2(adj) = 0.793, R2(pred) = 0.787, s = 0.359, F = 408, Pr > F = 0.0001
A plot of observed vs. predicted toxicity is presented in Figure 12.2.
