用碳链准长度估算和预测麻醉活性值

摘要

首先计算出化合物的分子极化指数和碳链准长度N'，然后经过校正得到相对碳链准长度Nr。 发现用Nr结合其它参数能较好地估算和预测52个化合物对青蛙蝌蚪的麻醉活性值。%The molecular polarizability index and quasi-length of carbon chain(N'）have been calculated for investigated compound.using the Polarizability Effect Index(PEI) And then the related quasi-carbon chain(Nr'）have been obtained by taking a calibrating factor.It is discovered that eathesia activity for organic compounds can be estimated and predicted better with the related quasi-length of carbon chain(Nr')and other parameters.