LD50 values, correlations using

In measuring the AKj values in eq 19, Green and Marcinkiewicz used tri-gol and diisopropyl ether in reversed-phased, tankless flat-bed chromatography. Boyce and Milborrow have shown that % values correlate the molluscicidal activity of a series of N-n-alkyltritylamines assuming a parabolic reaction exists between log LD50 and Rjj. Thus or ARj values can be used in eq 15 in place of log P or ir. 

Timer et al. (1983) used the intraperitoneal dosing data from Williams et al. (1982) to develop 3 QSARs for the Pearson and Mawby softness parameter (Op) that predicted mouse LD50 values for groups of 8,11, and 14 divalent cations (Table 5.1). The coefficients of determination, standard deviations, and probabilities of chance correlations for groups of 8, 11, and 14 divalent cations decreased as the number of divalent cations increased (Table 5.17). The Timer et al. (1983) QSAR for 14 divalent cations is identical to the Williams et al. (1982) mouse QSAR for 14 divalent cations (Table 5.1). The test system used to develop the Timer et al. (1983) QSARs is listed in Table 5.15. 

The correlation (r ) between log (Daphnia LC50) and log (rat oral LD50) values was found to be approximately 0.27. Because one should express these endpoints on a molar basis, this transformation was performed. The correlation increased to 0.53. It seemed desirable to proceed further by using log 1/C, where C = the log-transformed endpoint in molar form. However, the distributions of the two endpoints were then so severely non-normal that it was felt to be more prudent to proceed with the original parameters. 

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