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

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

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.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Databases, Factual*
  • Information Systems
  • Mutagenicity Tests / statistics & numerical data*
  • Mutagens / toxicity
  • Predictive Value of Tests
  • Salmonella / drug effects
  • Software
  • Structure-Activity Relationship*
  • Toxicology / methods*

Substances

  • Mutagens