A QSAR model for the estimation of carcinogenicity: example application to an azo-dye

Toxicol Lett. 1989 Dec;49(2-3):107-21. doi: 10.1016/0378-4274(89)90027-1.

Abstract

Since carcinogenicity bioassays are time-consuming, costly, and use animal resources, structure-activity relationship equations which model toxicological end-points have been developed to make available alternative methods which approximate the results that could be obtained from bioassays but which are less expensive and time-consuming and use fewer, if any, animals. These equations are based on sets of bioassay results and explain the end-point under consideration in terms of substructural and other parameters which describe the chemical entities. The resulting equations--or models--can then be used to estimate--or predict--the end-point for new structures. The estimation is followed by validation procedures.

MeSH terms

  • Animals
  • Azo Compounds / toxicity*
  • Carcinogens / toxicity*
  • Coloring Agents / toxicity
  • Mathematics
  • Models, Molecular
  • Models, Theoretical*
  • Structure-Activity Relationship

Substances

  • Azo Compounds
  • Carcinogens
  • Coloring Agents