Journal of chemical information and modeling
Mar 3, 2025
Skin sensitization, or allergic contact dermatitis, represents a critical end point in toxicity assessment, with profound implications for drug safety and regulatory decision-making. This study aims to develop a robust deep-learning-based quantitativ...
BACKGROUND: To enhance the accuracy of allergen detection in cosmetic compounds, we developed a co-culture system that combines HaCaT keratinocytes (transfected with a luciferase plasmid driven by the AKR1C2 promoter) and THP-1 cells for machine lear...
Occupational dermatoses impose a significant socioeconomic burden. Allergic contact dermatitis related to occupation is prevalent among healthcare workers, cleaning service personnel, individuals in the beauty industry and industrial workers. Among r...
BACKGROUND: Machine learning (ML) offers an opportunity in contact dermatitis (CD) research, where with full clinical picture, may support diagnosis and patch test accuracy.
Regulatory toxicology and pharmacology : RTP
Jul 24, 2021
The estimated concentrations for a stimulation index of 3 (EC3) in murine local lymph node assay (LLNA) is an important quantitative value for determining the strength of skin sensitization to chemicals, including cosmetic ingredients. However, anima...
Proceedings of the National Academy of Sciences of the United States of America
Dec 14, 2020
Contact dermatitis tremendously impacts the quality of life of suffering patients. Currently, diagnostic regimes rely on allergy testing, exposure specification, and follow-up visits; however, distinguishing the clinical phenotype of irritant and all...
Computational prioritization of chemicals for potential skin sensitization risks plays essential roles in the risk assessment of environmental chemicals and drug development. Given the huge number of chemicals for testing, computational methods enabl...
SAR and QSAR in environmental research
Jun 1, 2018
Predictive testing to characterise substances for their skin sensitisation potential has historically been based on animal models such as the Local Lymph Node Assay (LLNA) and the Guinea Pig Maximisation Test (GPMT). In recent years, EU regulations, ...
It is important to predict the potential of cosmetic ingredients to cause skin sensitization, and in accordance with the European Union cosmetic directive for the replacement of animal tests, several in vitro tests based on the adverse outcome pathwa...
The replacement of animal use in testing for regulatory classification of skin sensitizers is a priority for US federal agencies that use data from such testing. Machine learning models that classify substances as sensitizers or non-sensitizers witho...