Structure Activity-based Predictive Toxicology: an Efficient and Economical Method for Generating Non-congeneric Data Bases

Overview

Journal Mutagenesis

Publisher Oxford University Press

Specialties Environmental Health
Genetics

Date 1991 Sep 1

PMID 1795644

Citations 2

Authors

H S Rosenkranz

N Takihi

G Klopman

Affiliations

Soon will be listed here.

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.

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