Current insights on skin permeability data and QSPR modelling
Publication
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Skin permeability is a critical factor in pharmaceuticals, cosmetics, and occupational safety. Experimental determination of skin permeability coefficients (Kp) is time-intensive and resource-demanding, highlighting the importance of computational predictions. This study presents a quantitative structure-property relationship (QSPR) model developed using the recently published SkinPiX dataset and the HuskinDB skin permeability database, comprising 208 curated compounds with associated Kp values and metadata. The model performance was assessed on 3 new experimental data points. The datasets and models are freely available, providing a valuable tool to enhance decision-making and support the development of safer and more effective products.<br/>
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Technical datasheet
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Year of publication
2026 -
Language
Anglais -
Discipline(s)
Toxicologie expérimentale -
Author(s)
ASGARKHANOVA F., VARNEK A., BAYBEKOV S., MARCOU G., CHAMPMARTIN C., CHEDIK L., COSNIER F., VOLKOV M., PLYER L., HORVATH D. -
Reference
Molecular Informatics, 2026, https://doi.org/10.1002/minf.70030
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Associated studie(s)