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Table 10 The PCCs that fish toxicity were predicted incorrectly by more than 2 models

From: Comparison of seven in silico tools for evaluating of daphnia and fish acute toxicity: case study on Chinese Priority Controlled Chemicals and new chemicals

Substance Water solubility /mg·L−1 Experimental LC50/mg·L− 1 No. of models incorrect predicted
Used to validation Range in models and mean
Musk xylene 0.15 0.2 2.9 ~ 47 (9.87) 3
Heptadecafluorooctanesulfonic acid 0.10 68 68 3
2,4,6-tri-tert-butylphenol 0.063 0.048 0.06 ~ 0.1 (0.07) 3
Benzene 1880 5.3 5.3 ~ 452 (83) 3
Bis(2-ethylhexyl) phthalate 0.27 0.16 0.16 ~ 1106 (573) 3
Pentadecafluorooctanoic acid 0.48 157 24.6 ~ 607 (316) 4