journal6 ›› 2006, Vol. 27 ›› Issue (5): 102-105.

• Chemistry and chemical engineering • Previous Articles     Next Articles

The Bioactivity Models of Substituted Aromatics to Sword Fish (Xiphophorus Felleri) and Rare Minnow (Gobiocypris)


  1. (1.Department of Chemistry,Xuzhou Educhtion College,Xuzhou 221006,Jiangsu China;2.Department of Chemistry,Xuzhou Normul University,Xuzhou 221116,Jiangsu China)
  • Online:2006-09-25 Published:2012-06-29

Abstract: An atomic parameter (gi) for non-hydrogen atom i is defined as:gi=(ni-1)0.5·mi·((tc)/(ti))αi-(-1)hi+ki(1+k2i)hβii.A novel topological index (mL) is built up with(gi)in this paper.The quantitative structure-activity relationships(QSAR) studies are performed in relation to the acute toxicitiea and 0L of substituted aromatic compounds (with substituents —Cl,—OH,—NO2  and alkyl).The linear regression models between the 96h-LC50 and 0L of the compounds to aquatic organisms are proposed as follows:(1) sword fist  -lg LC50=-0.949 9+0.0306 0L,R=0.977 4;(2) rare minnow  -lg LC50′=-1.165 8+0.035 40L,R=0.995 4.The values calculated by the models are basically true as the experiment values.

Key words: quantitative structure-activity relationship, substituted aromatic, acute toxicity, sword fish, rare minnow

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