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Thesis Name: Study on the toxicity of substituted aromatic compounds to aquatic organisms by using AM1 method
Usage: Substituted aromatic compounds
Keyword: Substituted aromatic compounds, Quantitative structure-activity relationships, AM1-method
Remarks: Acute toxicity data of 30 substituted aromatic compounds to photobaterium phosphoreum were determined in this paper. Combining with the toxicity data of these compounds to pimephames promelas reported in references, quantitative structure-activity relationships were established by using semiempirical method of quantum chemistry-AM1. The results showed that good predictions could be made by using quantum parameters together with hydrophobic parameters.
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