Journal
BIOORGANIC & MEDICINAL CHEMISTRY
Volume 10, Issue 6, Pages 1761-1766Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/S0968-0896(02)00055-X
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Hydrophobicity (logP) as well as quantiative structure-toxicity relationships (QSTRs) of some benzene derivatives acting by narcosis have been established based on narcotic mechanisms of action and toxicity data to the fathead minnow, Daphnia magna and Vibrio fischeri using information-theoretic topological index (Id). Excellent results are obtained in multiparametric regression upon introduction of dummy parameters (indicator variables). Consistent increase in R-A(2) values indicated that inspite of collinarity between Id and one of the indicator variables (I3-6) the proposed models are statistically significant. (C) 2002 Published by Elsevier Science Ltd.
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