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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