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. 2014 Mar 17;112(20):6289–6294. doi: 10.1073/pnas.1314991111

Table 2.

Percent of compounds that fall in each acute aquatic toxicity category of concern (Table 1) as different property filters are applied

Property-based filter Acute aquatic toxicity concern category Mean LC50 of compounds retained
High (%) Moderate (%) Low (%) None (%) mg/L mmol/L
None 15 55 15 15 999 0.155
logDo/w < 1.7 12 27 80 100 2,247 1.29
logDo/w < 1.7; ΔE > 6 eV 7 15 48 89 3,006 2.71
logDo/w < 1.7; ΔE > 6 eV; V < 620 Å3 1 11 45 88 3,405 3.65

The mean LC50 values (both mass and molar based) of the compounds retained by each property filter are also reported.