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Regarding the sources of data analyzed with quantitative structure-skin permeability relationship methods (Commentary on 'Investigation of the mechanism of flux across human skin in vitro by quantitative structure-permeability relationships').

Authors
Frasch-HF; Landsittel-DP
Source
Eur J Pharm Sci 2002 Jun; 15(5):399-403
NIOSHTIC No.
20022340
Abstract
We investigated the sources of data used in recently published predictive models of skin permeability. It was found that skin permeability coefficients for 63 compounds are poorly documented. We hypothesized that these coefficients were calculated using the simple two variable, three parameter 'Potts and Guy' regression equation and hence were not derived from experimental measurements. We therefore examined the distribution of residuals of these reported coefficients compared with the Potts and Guy predictions. The residuals cannot be described by a normal distribution. A substantial (51%) number of residuals equaled 0.00. Further analysis demonstrated that 89% (56 out of 63) of the skin permeability coefficients can be explained as being calculated by the Potts and Guy equation using different documented octanol-water partition coefficients, and/or transcription errors. The results strongly suggest that these 63 skin permeability coefficients are calculated and not experimentally determined-a conclusion subsequently confirmed by one of the developers of the data set. Continued use of these data would lead to biased model selection, underestimation of experimental variability, and overestimation of model predictive ability.
Keywords
Quality-control; Quantitative-analysis; Skin; Skin-absorption; Skin-exposure; Statistical-analysis; Statistical-quality-control; Exposure-methods; Humans; In-vitro-study; Mathematical-models; Molecular-structure; Chemical-properties; Physical-properties
Contact
Health Effects Laboratory Division, National Institute for Occupational Safety and Health, MS L-3030, 1095 Willowdale Road, Morgantown, WV 26505, USA
CODEN
EPSCED
Publication Date
20020601
Document Type
Journal Article
Email Address
hbf9@cdc.gov
Fiscal Year
2002
NTIS Accession No.
NTIS Price
Issue of Publication
5
ISSN
0928-0987
NIOSH Division
HELD
Priority Area
Research Tools and Approaches: Exposure Assessment Methods
Source Name
European Journal of Pharmaceutical Sciences
State
WV
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