Kier L B, Hall L H, Murray W J, Randic M
J Pharm Sci. 1975 Dec;64(12):1971-4. doi: 10.1002/jps.2600641214.
A very significant linear correlation was found between a recently proposed connectivity index and molecular polarizability, cavity surface areas calculated for water solubility of alcohols and hydrocarbons, and biological potencies of nonspecific local anesthetics. The simplicity of calculation of the index from the connectivity in the molecular skeleton, together with the very significant correlation, indicates its practical value.
最近提出的一种连接性指数与分子极化率、为醇类和烃类的水溶性计算的空腔表面积以及非特异性局部麻醉剂的生物活性之间存在非常显著的线性相关性。该指数从分子骨架中的连接性计算得出,计算简单,且相关性非常显著,表明了其实际价值。