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分子连接性V:应用于密度的连接性序列概念

Molecular connectivity V: connectivity series concept applied to density.

作者信息

Kier L B, Murray W J, Randić M, Hall L H

出版信息

J Pharm Sci. 1976 Aug;65(8):1226-30. doi: 10.1002/jps.2600650824.

Abstract

The concept of the expanded series of the connectivity index, chi, is introduced and applied to a consideration of the density of three classes of molecules. Correlations are found using two terms in the expanded series. A preliminary reflection on the extended series terms is made. It is noted that the regression equation constant in the three studies is close to the phase volume, 0.7402, and the possible significance of this fact is discussed.

摘要

引入了连通性指数χ的扩展系列概念,并将其应用于对三类分子密度的考量。使用扩展系列中的两项发现了相关性。对扩展系列项进行了初步思考。注意到三项研究中的回归方程常数接近相体积0.7402,并讨论了这一事实可能的意义。

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