journal6 ›› 2006, Vol. 27 ›› Issue (5): 102-105.
• Chemistry and chemical engineering • Previous Articles Next Articles
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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
LI Ming-Jian, FENG Chang-Jun. The Bioactivity Models of Substituted Aromatics to Sword Fish (Xiphophorus Felleri) and Rare Minnow (Gobiocypris)[J]. journal6, 2006, 27(5): 102-105.
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https://zkxb.jsu.edu.cn/EN/Y2006/V27/I5/102