MOLECULAR STRUCTURE-BASED PREDICTION OF HUMAN ABDOMINAL SKIN PERMEABILITY COEFFICIENTS FOR SEVERAL ORGANIC COMPOUNDS
- 9 February 2001
- journal article
- research article
- Published by Taylor & Francis in Journal of Toxicology and Environmental Health, Part A
- Vol. 62 (3) , 143-159
- https://doi.org/10.1080/009841001458271
Abstract
Mechanistically based predictions of skin permeability coefficients ( K p) derived solely on the basis of molecular structure information of organic compounds have not been reported previously. The objective of the present study was to predict the human abdominal K p of structurally unrelated organic compounds using a mechanistic equation that takes into account compound-specific and species-specific determinants of K p, and relates the compound-specific determinants directly to molecular structure information. The method consisted of obtaining predictions based on a modified form of the conventional equation used to describe K pKeywords
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