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 (K_p) 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 K_p 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.