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[使用相关技术对药物预测进行回顾性分析]

[Retrospective analysis of drug projection using correlative technics].

作者信息

Grieco C, Silipo C, Vittoria A

出版信息

Farmaco Sci. 1976 Dec;31(12):917-34.

PMID:1017486
Abstract

The problem of choosing substituents to allow correct correlative analysis according to the "Hausch Approach" is discussed. The problem of colinearity among parameters is considered in a case study on 296 anilides which inhibit the Hill reaction. The difficulty in of determining whether, pi or MR is the important variable in changes in activity is shown. "Cluster analysis" is discussed and proposed as a rational method for the selection of substituents to be introduced into biologically active structure in order to explore the scope of each defined physico-chemical parameter. An example of the use of this method conerning auxin activity of 1- and 2-benzotriazole derivatives is given.

摘要

讨论了根据“豪施方法”选择取代基以进行正确相关分析的问题。在对296种抑制希尔反应的酰苯胺的案例研究中,考虑了参数间共线性的问题。结果表明,确定π或MR是活性变化中的重要变量存在困难。讨论了“聚类分析”,并将其作为一种合理的方法,用于选择引入生物活性结构中的取代基,以探索每个定义的物理化学参数的范围。给出了该方法用于1-和2-苯并三唑衍生物生长素活性的一个例子。

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