title: A QSAR model for the estimation of carcinogenicity: example application to an azo-dye.
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.
authors.affiliation: Health Designs, Inc., Rochester, NY 14604.
authors.forename: K
authors.initials: K
authors.lastname: Enslein
authors.forename: H H
authors.initials: HH
authors.lastname: Borgstedt
mesh_terms: 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
chemical_list: D001391:Azo Compounds; D002273:Carcinogens; D004396:Coloring Agents