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Multiple computer-automated structure evaluation study of aquatic toxicity. III. Vibrio fischeri

✍ Scribed by Gilles Klopman; Scott E. Stuart

Publisher
John Wiley and Sons
Year
2003
Tongue
English
Weight
83 KB
Volume
22
Category
Article
ISSN
0730-7268

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✦ Synopsis

Abstract

An acute toxicity model was constructed on the basis of 901 chemicals tested for toxicity against the luminescent bacteria Vibrio fischeri (formerly Photobacterium phosphoreum, the Microtox® test). The model was created using the Multiple Computer‐Automated Structure Evaluation (M‐CASE) program. The model can correctly predict acute toxicity for 92% of the compounds with an error averaging 0.55 log units per median effect concentration (EC50). The main toxicophores, corresponding to polar and nonpolar narcosis, and other types of reactive chemicals were identified.

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