一种新的连接性指数被定义为:mQ=∑(ti*tj*tk*…)-0.5,其中的0Q,3Q与22种胺类化合物在3种固定相(OV-101,OV-225和NGA)下的Kováts指数(I)显著相关。它们的线性方程如下:IOV-101=118.341+197.854×0Q+448.773×3Q,r=0.973*!3;IOV-225=249.218+1 815.760×3Q+343.222×1Q,r=0.974 6;INGA=382.196+2 004.277×3Q+318.416×1Q,r=0.973 4。这些模型较好地解释了胺类化合物Kováts指数的递变规律,并用Jackknife方法对模型的稳健性进行了检验。
A novel connectivity index(mQ) is defined as mQ=∑(ti*tj*tk*…)-0.5 in this paper. 0Q and 3Q have very good correlation for Kováts indices of 22 amines on three stationary phases(OV-101,OV-225 and NGA).Their linear regression equations are proposed as follows:IOV-101=118.341+197.854×0Q+448.773×3Q, r=0.973 3; IOV-225=249.218+1 815.760×3Q+343.222×1Q, r=0.974 6; INGA=382.196+2 004.277×3Q+318.416×1Q, r=0.973 4. These models can better elucidate the change rule of Kováts indices for the amines. Furthermore, a modified Jackknife's test was performed to validate the model robustness.
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