Work

Structure-Activity Relations: Maximizing the Usefulness of Mutagenicity and Carcinogenicity Databases

Year: 1991

Type: article

Abstract: The most important criteria for the development and analysis of databases for elucidating the structural bases of toxicological activity include the integrity of the databases with respect to uniformity of the experimental protocol and interpretation of the test results and inclusion of chemicals representing different chemical classes and differing mechanisms of action. Within these criteria, it is demonstrated that when the chemicals are chosen at random, the larger the database, the better the predictivity of chemicals not included in the learning set. It is shown however, that when chemicals are selected on the basis of structural features, that a learning set of approximately 180 chemicals is as informative as a database consisting of 800 chemicals chosen at random.

Source: Environmental Health Perspectives

DOI: 10.1289/ehp.919667

Authors: G Klopman, H Rosenkranz

Institution: Case Western Reserve University

Language: English

Topic: Carcinogens and Genotoxicity Assessment

Subfield: Cancer Research

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: gold

Estimated APC paid: $4,500

Funders: U.S. Environmental Protection Agency, National Institute of Environmental Health Sciences