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. 2022 Aug 2;2(6):482–509. doi: 10.1021/acsenvironau.2c00024

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
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)