| 芳烃类有机物结构与活性相关的模式参数研究 |
| 摘要点击 859 全文点击 565 修订日期：1993-09-03 |
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| 中文关键词 相关模式 结构活性 分子表征参数 芳烃类有机物 |
| 英文关键词 aromatic derivative toxicity effects parameters analysis QSAR |
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| 中文摘要 |
| 从理论上探讨有机物生物活性效应的相关模式,选用7种典型分子表征参数,对47种芳香烃类有机物的大型(Daphnia magna)毒效应(EC50、LC50)进行相关分析。结果表明,芳烃类有机物分子对生物活性的影响为:疏/亲水性>电性效应>空间效应。实验给出了多元优化回归方程。 |
| 英文摘要 |
| The quantitative structure activity relationships(QSAR) between acute toxicities of 47 substituted aromatic compounds to Daphnia megna(48h, EC50/LC50) and seven classical parameters of molecules had been investigated.The biological effects were found to be mainly related to Kow (octanol/water partition coefficient),πX(hydrophobic bonding effects),1Xv (substituent moiecula; connectivity index). The contribution rank of the aromatics in quantitative relationships was:hydrophobity/hydrophilicity>electronic effects>steric effects. |
