Chemical absorption in human skin

Whether from environmental and occupational hazards or from topical pharmaceuticals, the human skin comes into contact with various chemicals every day. In vivo experiments not only require large investments of both time and money, but in vivo experiments can also be unethical due to the need to intentionally or incidentally expose humans or animals to toxic chemicals. Comparatively, in vitro experiments offer ethical and financial advantages when combined with the opportunity to selectively choose chemicals for experimentation. With in vivo experimentation being so infeasible, many scientists have chosen to make their in vitro data available publicly. Using these data, a detailed database containing 73 chemicals was created with a robust set of descriptors to be used in connection with mathematical modeling to predict diffusion, permeability, and partition coefficients. This resulting database is tailored to be easily used in various coding languages., , , # Chemical Absorption in Human Skin

[https://doi.org/10.5061/dryad.dfn2z3581](https://doi.org/10.5061/dryad.dfn2z3581)

The collected data is from in vitro experiments of aqueous vehicle exposure in Franz diffusion cells with human skin. Ellison et al. published data of permeability, partition, and diffusion coefficients for 50 fragrance-relevant chemicals across the individual layers of the skin. Experimental permeability and diffusion coefficients in the dermis for fourteen non-volatile chemicals from Kretsos et al. were included along with calculated permeability and diffusion coefficients in the stratum corneum for nine hydrocortisones from Anderson et al. Additional chemical descriptors were collected (from PaDEL-Descriptor, the EPA's CompTox Chemicals Dashboard, and PubChem) and included within the database with the permeability and diffusion coefficient values.

## Description of the data and file structure

The content of each file is described below along with explanations and...