Title: Mechanistic Applicability Domain Classification Of A Local Lymph Node Assay Dataset For Skin Sensitisation
Authors: ROBERTS DWTIER GRACEKERN PETRAGERBERICK FRANKKIMBER IANDEARMAN REBECCARYAN CINDYBASKETTER DAVIDAPTULA AO
Citation: CHEMICAL RESEARCH IN TOXICOLOGY vol. 20 p. 1019-1030
Publisher: AMER CHEMICAL SOC
Publication Year: 2007
JRC N°: JRC37220
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC37220
Type: Articles in Journals
Abstract: The goal of eliminating animal testing in the predictive identification of chemicals with the intrinsic ability to cause skin sensitization is an important target, the attainment of which has recently been brought into even sharper relief by the EU Cosmetics Directive and the requirements of REACH legislation. Development of alternative methods requires that the chemicals used to evaluate, and validate novel approaches comprise not only confirmed skin sensitizers and non-sensitizers, but also substances that span the full chemical mechanistic spectrum associated with skin sensitization. To this end, a recently published database of more than 200 chemicals tested in the mouse local lymph node assay (LLNA) has been examined in relation to various chemical reaction mechanistic domains known to be associated with sensitization. It is demonstrated here that the dataset does cover the main reaction mechanistic domains. In addition, it is shown that assignment to a reaction mechanistic domain is a critical first step in a strategic approach to understanding, ultimately on a quantitative basis, how chemical properties influence the potency of skin sensitizing chemicals. This understanding is necessary if reliable non-animal approaches, including (Quantitative) Structure-Activity Relationships (Q)SARs, read-across, and experimental chemistry based models, are to be developed.
JRC Institute:Institute for Health and Consumer Protection

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