Current Insights on Skin Permeability Data and Quantitative Structure‐Property Relationship Modeling

Skin permeability is a critical factor in pharmaceuticals, cosmetics, and occupational safety. Experimental determination of skin permeability coefficients (Kp) is time-intensive and resource-intensive, 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 209 curated compounds with associated Kp values and metadata. The model performance was assessed on three 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.