Mechanism-Based QSAR Modeling of Skin Sensitization
نویسندگان
چکیده
منابع مشابه
Skin Sensitization: Modeling the Human Adverse Response
Unilever initiated a long-term research and capability development program in 2004 to evaluate and implement a new conceptual approach for assuring consumer safety without animal testing (Fentem et al., 2004, Westmoreland et al., 2010). Unilever’s approach for safety assessment is risk-based, meaning that all available data on a new ingredient (including predicted levels of consumer exposure du...
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Currently, the only validated methods to identify skin sensitization effects are in vivo models, such as the local lymph node assay (LLNA) and guinea pig studies. There is a tremendous need, in particular due to novel legislation, to develop animal alternatives, for eaxample, quantitative structure-activity relationship (QSAR) models. Here, QSAR models for skin sensitization using LLNA data hav...
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Skin permeability is widely considered to be mechanistically implicated in chemically-induced skin sensitization. Although many chemicals have been identified as skin sensitizers, there have been very few reports analyzing the relationships between molecular structure and skin permeability of sensitizers and non-sensitizers. The goals of this study were to: (i) compile, curate, and integrate th...
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ژورنال
عنوان ژورنال: Chemical Research in Toxicology
سال: 2015
ISSN: 0893-228X,1520-5010
DOI: 10.1021/acs.chemrestox.5b00197