PREDICTION OF CHEMICAL CARCINOGENICITY FROM MOLECULAR AND ELECTRONIC-STRUCTURES - A COMPARISON OF MINDO/3 AND CNDO/2 MOLECULAR-ORBITAL METHODS

被引：26

作者：

LEWIS, DFV

IOANNIDES, C

PARKE, DV

机构：

来源：

TOXICOLOGY LETTERS | 1989年 / 45卷 / 01期

关键词：

D O I：

10.1016/0378-4274(89)90153-7

中图分类号：

R99 [毒物学（毒理学）];

学科分类号：

100405 ;

摘要：

引用

页码：1 / 13

页数：13

共 40 条

[1] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[2]

DEMONTELLANO PRO, 1986, CYTOCHROME P450

[3] HYDROXYL RADICAL GENERATION BY MICROSOMES AFTER CHRONIC ETHANOL-CONSUMPTION [J].

DICKER, E ;

CEDERBAUM, AI .

ALCOHOLISM-CLINICAL AND EXPERIMENTAL RESEARCH, 1987, 11 (03) :309-314

[4]

GLATT H, 1983, CANCER RES, V43, P5713

[5] THE GENERATION OF OXIDATION-PRODUCTS OF BENZO[A]PYRENE BY LIPID-PEROXIDATION - A STUDY USING GAMMA-IRRADIATION [J].

GOWER, JD ;

WILLS, ED .

CARCINOGENESIS, 1984, 5 (09) :1183-1189

[6]

HAKOMORI S, 1985, CANCER RES, V45, P2405

[7]

HELVIG P, 1975, EXPT QUANTUM CHEM, P307

[8] CYTOCHROME-P-448 AND THE ACTIVATION OF TOXIC-CHEMICALS AND CARCINOGENS [J].

IOANNIDES, C ;

LUM, PY ;

PARKE, DV .

XENOBIOTICA, 1984, 14 (1-2) :119-137

[9]

JERINA D M, 1977, MICROSOMES DRUG OXID, P709

[10]

KADLUBAR FF, 1982, BIOCHEM BIOPH RES CO, V108, P253, DOI 10.1016/0006-291X(82)91859-9

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