用碳链准长度估算和预测麻醉活性值

ESTIMATION AND PREDICTION OF EATHESIA ACTIVITY FOR ORGANIC COMPOUNDS

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.