CORRESPONDENCE-ANALYSIS OF THE SKIN SENSITIZATION POTENTIAL OF ORGANIC-CHEMICALS

Correspondence analysis is a variant of principal component analysis f or use with categoric data. It has been applied to information describ ing the frequencies of structural certain molecular features and the s kin sensitization potential of a database of organic compounds. Corres pondence analysis allows the graphical study of the interrelationship between the relative frequency of structural features of non, weak, mo derate and strong sensitizers and the individual class membership. Str uctural features resulting in protein reactivity are shown to be stron gly associated with strong sensitizers; other features, not related to reactivity, are associated with non, or weak, sensitizers. The analys is also indicates structural features whose description is too vague a nd needs more refinement.