Modeling Joint Effects of Mixtures of Chemicals on Microorganisms Using Quantitative Structure Activity Relationships.
Annual rept. 20 Aug 91-19 Aug 92,
NEW MEXICO STATE UNIV LAS CRUCES DEPT OF CIVIL ENGINEERING
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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.
- Organic Chemistry