Study on the acute toxicity of chemicals to fish by QSAR model
Shubao Shen
Abstract
Shubao Shen
Abstract
To manage the use of chemicals,to predict the toxicity of unknown compounds is needed.A series of acute toxicity of environmental chemicals to fish is predicted by Quantitative structure-activity relationship(QSAR) method.The progress in QSAR research,methodology,mathematical modeling and molecular descriptors is reviewed.Finally,the octanol/water partition coefficient method is used to summarize the acute toxicity of 119 compounds to fish,which can provide significant value of predicting the acute toxicity of environmental chemicals.
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To manage the use of chemicals,to predict the toxicity of unknown compounds is needed.A series of acute toxicity of environmental chemicals to fish is predicted by Quantitative structure-activity relationship(QSAR) method.The progress in QSAR research,methodology,mathematical modeling and molecular descriptors is reviewed.Finally,the octanol/water partition coefficient method is used to summarize the acute toxicity of 119 compounds to fish,which can provide significant value of predicting the acute toxicity of environmental chemicals.
Key concepts: Quantitative structure–activity relationship, Acute toxicity, Fish <Actinopterygii>, Partition coefficient, Toxicity, Biochemical engineering, Molecular descriptor, Aquatic toxicology