Quantitative Structure Activity Relationships QSAR
QSAR models are powerful tools to predict chemically induced toxicological effects for substances with few or no experimental test data. These models can reduce the number of animal tests necessary in the assessment of chemical substances. They can increase the information for a given substance (including metabolites and degradation products), and save time and money.
Quantitative Structure Activity Relationships (QSARs) are relationships between structural properties of chemical substances and another property. This other property can be a physico-chemical property or a biological activity, including the ability to cause toxic effects.
The models are established on the basis of experimental test data for a set of chemical substances.
Once built, the models can be used to predict the modelled property for compounds without the need for experimental testing.