Modeling Joint Effects of Mixtures of Chemicals on Microorganisms Using Quantitative Structure Activity Relationships.

Abstract

Toxicity of 50 organic chemicals to microorganisms was determined using the respirometeric approach. Using this experimental database, models for predicting toxicity (IC50 values) were developed using QSAR techniques. Toxicity measurements were also made for ten binary mixtures, and sixteen multi-component mixtures. The joint effects of organic chemicals in mixtures were analyzed by three different approaches. Using the QSAR model developed from single chemical studies, an approach was developed to analyze and predict joint effects of chemicals in mixtures. The results of this study indicate that the joint effects could be considered simply additive for the different classes of chemicals tested.

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Document Details

Document Type
Technical Report
Publication Date
Jan 01, 1992
Accession Number
ADA261734

Entities

People

  • F. Cadena
  • M. Mohsin
  • N. Nirmalakhandan
  • S. Bangxin
  • V. Arulgnanendran

Organizations

  • New Mexico State University

Tags

Communities of Interest

  • Materials and Manufacturing Processes

DTIC Thesaurus Topics

  • Alkanes
  • Amines
  • Aromatic Compounds
  • Autocorrelation
  • Data Acquisition
  • Databases
  • Ecology
  • Experimental Data
  • Ideal Gas Law
  • Measurement
  • Microorganisms
  • Molecular Structure
  • New Mexico
  • Regression Analysis
  • Statistics
  • Toxicity
  • Water

Fields of Study

  • Chemistry

Readers

  • Analytical Chemistry
  • Computational Modeling and Simulation
  • Environmental Engineering.