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Structure activity-based predictive toxicology: an efficient and economical method for generating non-congeneric data bases.

作者信息

Rosenkranz H S, Takihi N, Klopman G

机构信息

Department of Environmental and Occupational Health, Graduate School of Public Health, University of Pittsburgh, PA 15261.

出版信息

Mutagenesis. 1991 Sep;6(5):391-4. doi: 10.1093/mutage/6.5.391.

DOI:10.1093/mutage/6.5.391
PMID:1795644
Abstract

Starting with the results of the mutagenicity of 100 chemicals, we use CASE, a structure activity relational system, to select additional chemicals for inclusion into a data base. We demonstrate that a data base consisting of approximately 180 carefully selected chemicals is as predictive as the analysis based upon 820 'unselected' chemicals.

摘要

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