Croizet F, Langlois M H, Dubost J P, Braquet P, Audry E, Dallet P, Colleter J C
Groupe d'Etude des Relations Structure-Activité et d'Analyse Chimique, Laboratoire de Chimie Analytique U.R.A. 605, Bordeaux, France.
J Mol Graph. 1990 Sep;8(3):153-5, 149. doi: 10.1016/0263-7855(90)80056-l.
This paper proposes a new tool that allows us to see the following in the same frame: (1) 3D geometrical features of a molecule, and (2) pseudo-3D representation of the lipophilicity molecular potential. It thus becomes very easy to compare the lipophilicity molecular potential gradient of different molecules having the same pharmacological properties. An example of two structurally dissimilar anti-PAF molecules is given.
本文提出了一种新工具，它能让我们在同一画面中看到以下内容：（1）分子的三维几何特征，以及（2）亲脂性分子势能的伪三维表示。这样一来，比较具有相同药理特性的不同分子的亲脂性分子势能梯度就变得非常容易。文中给出了两个结构不同的抗血小板活化因子（PAF）分子的例子。
