A QSAR model for the estimation of carcinogenicity: example application to an azo-dye.
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.
Enslein
K
K
Health Designs, Inc., Rochester, NY 14604.
Borgstedt
H H
HH
D000818:Animals; D001391:Azo Compounds / Q000633:toxicity*; D002273:Carcinogens / Q000633:toxicity*; D004396:Coloring Agents / Q000633:toxicity; D008433:Mathematics; D008958:Models, Molecular; D008962:Models, Theoretical; D013329:Structure-Activity Relationship
D001391:Azo Compounds; D002273:Carcinogens; D004396:Coloring Agents