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The study evaluates the performance of the ECOSAR QSAR model in predicting the aquatic toxicity of over 1000 industrial chemicals. The model correctly classified 65% of fish, 52% of Daphnia, and 49% of algae into toxicity classes, with an overall accuracy of 69%, 64%, and 60% respectively when allowing for a tolerance factor of 10. The results indicate that while ECOSAR is useful for predicting toxicity, it underestimates toxicity for about 20% of the chemicals across all trophic levels.

Author

Fernandabio

Language

EN