ABSTRACT

The physical, chemical, and toxicological properties of a chemical are all derived

from and related to the unique molecular structure of that chemical; it follows

therefore that the various properties of the chemical are also interrelated. This

principle forms the basis for the prediction of toxicity from chemical structure. If a

mechanistic hypothesis can be proposed which links structural features of a group

of related chemicals with a particular toxicological end point, in this case

photoallergy, then a structure-activity relationship can be established.