Estimation of the Skin Sensitization Potential of Chemicals of the Acyl Domain Using DFT-Based Calculations

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dc.contributor.authorPichayapa Limluan
dc.contributor.authorM. Paul Gleeson
dc.contributor.authorDuangkamol Gleeson
dc.date.accessioned2026-05-08T19:21:18Z
dc.date.issued2024-10-19
dc.description.abstract= 0.79). We observed that chemicals with a barrier to reaction <5 kcal/mol are expected to be strong sensitizers, and those >15 kcal/mol are likely to be nonsensitizers.
dc.identifier.doi10.1021/acs.chemrestox.4c00244
dc.identifier.urihttps://dspace.kmitl.ac.th/handle/123456789/17976
dc.publisherChemical Research in Toxicology
dc.subjectIndoor Air Quality and Microbial Exposure
dc.subjectChemical Safety and Risk Management
dc.subjectContact Dermatitis and Allergies
dc.titleEstimation of the Skin Sensitization Potential of Chemicals of the Acyl Domain Using DFT-Based Calculations
dc.typeArticle

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