SYMPOSIA PAPER Published: 01 January 1993

Baseline Toxicity QSAR Models: A Means to Assess Mechanism of Toxicity for Aquatic Organisms and Mammals


QSAR models based upon an anesthetic or narcosis mechanism represent baseline or minimum toxicity, i.e., unless a chemical acts by no more specific mechanism, its toxicity will be predicted by such models. The availability of such baseline toxicity models for a range of biological test organisms, end effects, and routes of administration can provide a probe for testing new chemicals with respect to their molecular mechanism of toxicity. Mechanistic organic chemistry can then be applied to suggest more specific mechanisms. Future QSAR development will be based upon the use of mechanism based molecular descriptors that evolve from the more qualitative studies described in this paper.

Author Information

Lipnick, RL
Office of Pollution Prevention and Toxics (TS-796), U.S. Environmental Protection Agency, Washington, DC, USA
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Developed by Committee: E47
Pages: 610–619
DOI: 10.1520/STP13180S
ISBN-EB: 978-0-8031-5257-1
ISBN-13: 978-0-8031-1485-2