QSAR models of allergic contact dermatitis.
Fedorowicz-A; Singh-H; Demchuk-E
American Industrial Hygiene Conference and Exposition, May 8-13, 2004, Atlanta, Georgia. Fairfax, VA: American Industrial Hygiene Association, 2004 May; :89
Allergic contact dermatitis is a common work-related skin disease that often develops after repetitive skin exposures to a sensitizing chemical. A variety of animal and human experimental assays have been suggested to assess the skin sensitization potential. The introduction of the murine local lymph node assay (LLNA) with its quantitative endpoint for skin sensitizing potency has provided continuous scale suitable for developing quantitative structure-activity relationships (QSARs) of skin sensitization, which relate physical-chemical properties of chemical compounds to their sensitization potential. However, at present many LLNA results are mostly reported using a dichotomous scale (+/-), which is consistent with the scale of guinea pig and human tests, which have been widely used in the past. Therefore, in this study only a dichotomous version of the LLNA data was used to develop QSAR models of skin sensitization. Using statistical methods, physical-chemical properties of chemicals, called molecular descriptors, were tested for their ability to predict the skin sensitization potential. A few of the most informative descriptors were subsequently selected to build QSAR models of skin sensitization with high prediction rates.
Models; Allergic-dermatitis; Contact-dermatitis; Skin-diseases; Skin-exposure; Sensitization; Lymph-nodes; Laboratory-testing; Laboratory-animals; Animals; Animal-studies
Disease and Injury: Allergic and Irritant Dermatitis
American Industrial Hygiene Conference and Exposition, May 8-13, 2004, Atlanta, Georgia