Study on the acute toxicity of chemicals to fish by QSAR model
Shubao Shen · Xiandai huagong · 2011
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.