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- W2015282354 abstract "This study was undertaken to test the ability of the molecular connectivity model to predict the level of acute toxicity of alcohols, ethers, aldehydes, ketones, nitriles, aliphatic and aromatic amines, halogenated hydrocarbons, substituted benzenes, and phenols for fish. We obtained good linear correlation between the valence zero-order molecular connectivity index (0χv) and 96-h LC50 data for a large group of commercial chemicals. Our results and their comparison with previously published models demonstrate that the molecular connectivity model is an accurate predictive tool for assessing the level of acute toxicity of a wide range of commercial chemicals. It can be confidently used to rank potentially hazardous chemicals and to create priority testing lists. In addition, it is shown that the molecular size of chemicals is directly proportional to the fish acute toxicity and that is the most important structural feature that accounts for 85% of the variation in the measured fish acute toxicity data. Finally, an attempt was made to critically evaluate and compare all published QSAR models for predicting acute toxicity for fish." @default.
- W2015282354 created "2016-06-24" @default.
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- W2015282354 date "1989-01-01" @default.
- W2015282354 modified "2023-10-09" @default.
- W2015282354 title "Quantitative structure-activity relationships of acute toxicity of commercial chemicals on fathead minnows: effect of molecular size" @default.
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- W2015282354 doi "https://doi.org/10.1016/0166-445x(89)90054-4" @default.
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