Comparative study of four QSAR models of aromatic compounds to aquatic organisms

J Environ Sci (China). 2002 Oct;14(4):552-7.

Abstract

Quantitative structure-activity relationships (QSARs) were developed for 43 aromatic compounds toxicity to Photobacterium phosphoreum and Daphnia magna based on four methods: octanol/water partition coefficient, linear solvation energy relationship, molecular connectivity index and group contribution. Through the evaluation of four QSAR methods, LSER was proved to be the best. And it applied to the widest range of chemicals with the greatest accuracy.

Publication types

  • Comparative Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Aniline Compounds / chemistry
  • Aniline Compounds / toxicity
  • Animals
  • Chlorobenzenes / chemistry
  • Chlorobenzenes / toxicity
  • Daphnia / drug effects*
  • Hydrocarbons, Aromatic / chemistry*
  • Hydrocarbons, Aromatic / toxicity*
  • Phenols / chemistry
  • Phenols / toxicity
  • Photobacterium / drug effects*
  • Quantitative Structure-Activity Relationship
  • Toluene / analogs & derivatives
  • Toluene / metabolism
  • Toluene / toxicity

Substances

  • Aniline Compounds
  • Chlorobenzenes
  • Hydrocarbons, Aromatic
  • Phenols
  • Toluene
  • aniline