Table 5. Comparison of QSAR Conclusions of Persistency with Those of Reported Simulated Half-Lives in Water, Soil, and Sediment and the REACH Annex XIII Criteria for Persistence (P) And Very Persistent (vP)^a.

comparison of QSAR conclusions with simulation test half-life conclusions		QSAR max t1/2	n
t1/2-QSAR	P in water, soil OR sediment agrees with t1/2-QSAR ≥ 40 days	74%	78
	”Not P” in water, soil AND sediment agrees with t1/2-QSAR < 40 days	40%	5
	overall efficiency	72%	83
OPERA	P in water, soil, OR sediment agrees with OPERA ≥ 40 days	19%	72
	”Not P” in water, soil, AND sediment agrees with OPERA < 40 days	100%	3
	overall efficiency	23%	75
QSARToolbox	P in water, soil, OR sediment agrees with QSARToolbox profiler	78%	55
	“Not P” in water, soil, AND sediment agrees with the QSARToolbox profiler	50%	4
	overall efficiency	76%	59

^aThere are fewer predictions for not Persistent (Not P) as this comparison was required for simulated half-lives in all water, soil, and sediment media. Overall efficiency refers to the frequency of times P and “Not P” were predicted correctly.