Table 4. Comparison of QSAR Half-Lives with the Longest Half-Lives Reported from Experimental Simulation Tests Obtained from the eChemPortal Database.
avg Δlog(t1/2) ± SD |
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comparison of simulated vs QSAR half-lives: Δlog(t1/2) = log(t1/2 experimental, simulated)- log (t1/2predicted) | t1/2-QSAR | OPERA |
experimental maximum: t1/2 fresh water | –0.5 ± 1.3 n = 60) | 0.5 ± 1.3 (n = 49) |
experimental maximum: t1/2 in soil | –0.5 ± 1.4 (n = 221) | 0.4 ± 1.5 (n = 202) |
experimental maximum: t1/2 in sediment | –0.5 ± 1.2 (n = 80) | 0.6 ± 1.1 (n = 71) |