An expert system for prediction of aquatic toxicity of contaminants
By: James P. Hickey, Andrew J. Aldridge, Dora R. May Passino, and Anthony M. Frank
Edited by: Judith M. Hushon
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Abstract
The National Fisheries Research Center-Great Lakes has developed an interactive computer program in muLISP that runs on an IBM-compatible microcomputer and uses a linear solvation energy relationship (LSER) to predict acute toxicity to four representative aquatic species from the detailed structure of an organic molecule. Using the SMILES formalism for a chemical structure, the expert system identifies all structural components and uses a knowledge base of rules based on an LSER to generate four structure-related parameter values. A separate module then relates these values to toxicity. The system is designed for rapid screening of potential chemical hazards before laboratory or field investigations are conducted and can be operated by users with little toxicological background. This is the first expert system based on LSER, relying on the first comprehensive compilation of rules and values for the estimation of LSER parameters.
Suggested Citation
Hickey, J.P., Aldridge, A., Passino, D.R., Frank, A.M., 1990, An expert system for prediction of aquatic toxicity of contaminants, chap. of Expert systems for environmental applications, v. 431, https://doi.org/10.1021/bk-1990-0431.ch007.
| Publication type | Book chapter |
|---|---|
| Publication Subtype | Book Chapter |
| Title | An expert system for prediction of aquatic toxicity of contaminants |
| DOI | 10.1021/bk-1990-0431.ch007 |
| Volume | 431 |
| Publication Date | July 23, 2009 |
| Year Published | 1990 |
| Language | English |
| Publisher | American Chemical Society, ACS Symposium Series |
| Publisher location | Washington, D.C. |
| Contributing office(s) | Great Lakes Science Center |
| Larger Work Type | Report |
| Larger Work Subtype | Other Report |
| Larger Work Title | Expert systems for environmental applications |