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Multiple computer‐automated structure evaluation study of aquatic toxicity. III. Vibrio fischeri
Author(s) -
Klopman Gilles,
Stuart Scott E.
Publication year - 2003
Publication title -
environmental toxicology and chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.1
H-Index - 171
eISSN - 1552-8618
pISSN - 0730-7268
DOI - 10.1002/etc.5620220302
Subject(s) - photobacterium phosphoreum , photobacterium , toxicity , vibrio , acute toxicity , ec50 , luminescent bacteria , vibrionaceae , biology , chemistry , bacteria , environmental chemistry , biochemistry , organic chemistry , in vitro , genetics
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.