THE STRUCTURAL BASIS OF THE MUTAGENICITY OF CHEMICALS IN SALMONELLA-TYPHIMURIUM - THE NATIONAL-TOXICOLOGY-PROGRAM DATA-BASE

被引：93

作者：

ROSENKRANZ, HS ^{[1
]}

KLOPMAN, G ^{[1
]}

机构：

[1] CASE WESTERN RESERVE UNIV,DEPT CHEM,CLEVELAND,OH 44106

来源：

MUTATION RESEARCH | 1990年 / 228卷 / 01期

关键词：

D O I：

10.1016/0027-5107(90)90014-U

中图分类号：

Q3 [遗传学];

学科分类号：

071007 ; 090102 ;

摘要：

A portion of the U.S. National Toxicology Program (NTP) Salmonella typhimurium mutagenicity data base was analyzed by CASE, an artificial intelligence SAR system. CASE identified 13 structural determinants which, with a high probability (p ≤ 0.05) predicted the likelihood of mutagenicity of the 243 chemicals in the data base (sensitivity = 0.989; specificity = 0.950) as well as of chemicals not included ir 3he data base. CASE also identified an additional set of structures which were highly predictive o mutagenic potency (sensitivity = 0.949; specificity = 1.00). Even though there is little overlap among the chemicals included in the NTP and Gene-Tox Salmonella data bases, CASE found significant similarities between the structural determinants of the mutagenicity in the two data bases, thereby validating the analyses and indicating a commonality in the structural basis of mutagenicity. © 1990.

引用

页码：51 / 80

页数：30

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