title: CASE, the computer-automated structure evaluation system, as an alternative to extensive animal testing.
abstract: CASE, an artificial intelligence system with demonstrated ability to predict biological activity based on structural considerations, correctly predicts animal carcinogenicity. It can, therefore, play a pivotal role in classifying chemicals as carcinogens and prioritizing them for further testing. Additionally, CASE shows promise in the design of pharmacologically active agents by reducing the number of drugs that need to be synthesized and tested. For both of these applications, CASE provides a mechanism to conserve animal and other testing resources.
authors.affiliation: Department of Environmental Health Sciences, School of Medicine, Case Western Reserve University, Cleveland, OH 44106.
authors.forename: H S
authors.initials: HS
authors.lastname: Rosenkranz
authors.forename: G
authors.initials: G
authors.lastname: Klopman
mesh_terms: D000826:Animal Testing Alternatives; D000818:Animals; D001185:Artificial Intelligence; D001551:Benz(a)Anthracenes / Q000633:toxicity; D001564:Benzo(a)pyrene / Q000633:toxicity; D015197:Carcinogenicity Tests; D055598:Chemical Phenomena; D002621:Chemistry; D006801:Humans; D013329:Structure-Activity Relationship
chemical_list: D001551:Benz(a)Anthracenes; C041194:benz(e)aceanthrylene; D001564:Benzo(a)pyrene