A topological sub-structural approach of the mutagenic activity in dental monomers.: 1.: Aromatic epoxides

被引：31

作者：

González, MP

Helguera, AM

Ruiz, RM

Fárdales, JRG

机构：

[1] Expt Sugar Cane Stn Villa Clara Cienfuegos, Dept Drug Design, Serv Unit, Ranchuelo, Villa Clara, Cuba

[2] Cent Univ Las Villas, Chem Bioact Ctr, Dept Drug Design, Santa Clara, Villa Clara, Cuba

[3] Cent Univ Las Villas, Fac Chem & Pharm, Dept Chem, Santa Clara, Villa Clara, Cuba

来源：

POLYMER | 2004年 / 45卷 / 08期

关键词：

aromatic epoxides; quantitative structure-activity relationships; mutagenicity;

D O I：

10.1016/j.polymer.2004.02.047

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

The topological sub-structural molecular design (TOPS-MODE) approach has been introduced for the study of mutagenic properties. The mutagenicity of 16 dental monomers was studied with this approach, obtaining a good quantitative structure-toxicity model. For comparison, four different weights were involved in the diagonal entries of the bond matrix for selecting the best TOPS-MODE model. TOPS-MODE was used to derive the contribution of different fragments to the toxicity of studied compounds. (C) 2004 Elsevier Ltd. All rights reserved.

引用

页码：2773 / 2779

页数：7

共 29 条

[1]

[Anonymous], MODES LAB VERSION 1

[2]

[Anonymous], CHEMOMETRIC METHODS

[3] Radiopacity of tantalum oxide nanoparticle filled resins [J].