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Study on quantitative structure-toxicity relationships of benzene derivatives acting by narcosis.

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.
AuthorsPadmakar V Khadikar, Keshav C Mather, Shalini Singh, Anjani Phadnis, Anjali Shrivastava, Manorama Mandaloi
JournalBioorganic & medicinal chemistry (Bioorg Med Chem) Vol. 10 Issue 6 Pg. 1761-6 (Jun 2002) ISSN: 0968-0896 [Print] England
PMID11937334 (Publication Type: Journal Article)
Chemical References
  • Benzene Derivatives
Topics
  • Animals
  • Benzene Derivatives (chemistry, toxicity)
  • Cyprinidae (physiology)
  • Hydrophobic and Hydrophilic Interactions
  • Hypokinesia (chemically induced)
  • Inhibitory Concentration 50
  • Logistic Models
  • Quantitative Structure-Activity Relationship
  • Toxicity Tests (methods)
  • Vibrio (drug effects)

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