AI Article Synopsis
- - The study investigates how the hydrophobicity (logP) and structure-toxicity relationships (QSTRs) of certain benzene derivatives impact their toxicity, particularly focusing on their narcotic effects on species like fathead minnows, Daphnia magna, and Vibrio fischeri.
- - Researchers utilized an information-theoretic topological index (Id) and found strong results in their multiparametric regression analysis, especially after integrating dummy parameters (indicator variables).
- - Despite some collinearity issues between the Id and an indicator variable, the models developed showed a consistent increase in predictive accuracy (R(2)(A) values), affirming their statistical significance.
Article Abstract
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(2)(A) values indicated that inspite of collinarity between Id and one of the indicator variables (I(3-6)) the proposed models are statistically significant.
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| http://dx.doi.org/10.1016/s0968-0896(02)00055-x | DOI Listing |
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