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’)

Details

• Personal Author:
  Frasch, H. Fredrick ; Landsittel DP
• Description:
  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. [Description provided by NIOSH]
• Subjects:
  Chemistry Occupational Health Quality Control Safety Skin Skin Absorption
• Keywords:
  Author Keywords: Data Analysis Chemical-properties Exposure-methods Humans Human Skin In-vitro-study Mathematical-models Molecular-structure Physical-properties Quality-control Quantitative-analysis Quantitative Structure Skin Permeability Relationship Skin-absorption Skin-exposure Skin Absorption Skin Flux Mechanism Statistical-analysis Statistical-quality-control

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• ISSN:
  0928-0987
• Document Type:
  Text
• Genre:
  Journal Article
• Place as Subject:
  OSHA Region 3 ; West Virginia
• CIO:
  National Institute for Occupational Safety and Health (NIOSH)
• Division:
  HELD - Health Effects Laboratory Division
• Topic:
  Workplace Safety & Health
• Location:
  North America
• Pages in Document:
  399-403
• Volume:
  15
• Issue:
  5
• NIOSHTIC Number:
  nn:20022340
• Citation:
  Eur J Pharm Sci 2002 Jun; 15(5):399-403
• Contact Point Address:
  Health Effects Laboratory Division, National Institute for Occupational Safety and Health, MS L-3030, 1095 Willowdale Road, Morgantown, WV 26505, USA
• Email:
  hbf9@cdc.gov
• Federal Fiscal Year:
  2002
• NORA Priority Area:
  Research Tools and Approaches: Exposure Assessment Methods
• Peer Reviewed:
  True
• Source Full Name:
  European Journal of Pharmaceutical Sciences
• Collection(s):
  National Institute for Occupational Safety and Health
• Main Document Checksum:
  urn:sha-512:b0e8bf0cc975d06d250d14885f01ccbf7160b9f920b67c5d0d67bfa467b14ef9c49e54d8d9d849a8f9ff5db2444ffd53c456def5559a9eefd7dfaa5e695e7d6b
• Download URL:
  https://stacks.cdc.gov/view/cdc/199150/cdc_199150_DS1.pdf
• File Type:
  [PDF - 128.87 KB ]