Predicting skin permeability of chemical substances using a quantitative structure-activity relationship

Procedia Engineering

Volumn 45, Issue , 2012, Pages 875-879

  Chang, Yen Ching ^a   Chen, Chen Peng ^a   Chen, Chan Cheng ^b  

^a CHINA MEDICAL UNIVERSITY   (Taiwan)

^b NATIONAL KAOHSIUNG UNIVERSITY OF APPLIED SCIENCES   (Taiwan)

Author keywords

Industrial chemical; Quantitative structure activity relationship; Skin permeability

Indexed keywords

EID: 84891701067     PISSN: 18777058     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1016/j.proeng.2012.08.252     Document Type: Conference Paper

References (12)

1. Department of Health and Human Services (DHHS), 2000. Objective for Improving Health Focus Area 20-8: Reduce Occupational Skin Diseases or Disorders among Full-Time Workers. Healthy People 2010, Vol. II, 2nd Ed. DHHS, Washington, DC, USA.
2. Lian, G., Chen, L., Han, L., 2008. An Evaluation of Mathematical Models for Predicting Skin Permeability, Journal of Pharmaceutical Sciences 97, p. 584.
3. Flynn, L., 1990. Physicochemical Determinants of Skin Absorption, in "Principles of Route-to-Route Extrapolation for Risk Assessment" T. Gerrity, C. Henry, Editors. Elsevier Science Publishing Co., New York, p. 93.
4. Wilschut, A., ten Berge, W., Robinson, P., McKone, T., 1995. Estimating Skin Permeation. The Validation of Five Mathematical Skin Permeation Models, Chemosphere 30, p. 1275.
5. Patel, H., ten Berge, W., Cronin, M., 2002. Quantitative Structure-Activity Relationships (QSARs) for the Prediction of Skin Permeation of Exogenous Chemicals, Chemosphere 48, p. 603.
6. Syracuse Research Corporation (SRC), 2010. PhysProp Database, available from http://www.syrres.com/esc/physprop.htm.SRC, Arlington, VA, USA.
7. US National Library of Medicine (NLM), 2011. Toxicology Data Network (TOXNET) ChemIDplus Database, available from http://toxnet.nlm.nih.gov/.NLM, Bethesda, MD, USA.
8. National Institute of Standards and Technology (NIST), 2011. Chemistry WebBook, available from http://webbook.nist.gov/chemistry/.Gaithersburg, NIST, MD, USA.
9. Hypercube Inc., 2008. Reference Manual. HyperChem® Release 8.0 for Windows® Molecular Modeling System. Hypercube Inc., Waterloo, ON, Canada.
10. Talete srl., 2007. DRAGON User Manual. DRAGON for Windows and Linux 2007, Version 5.5, available from http://www.talete.mi.it/.Taletesrl, Milano, Italy.
11. The MathWorks Inc., 2009. MATLAB Statistical Toolbox v7.7 - User Guide. The MathWorks, Inc., Natick, MA, USA.
12. Fitzpatrick, D., Corish, J., Hayes, B., 2004. Modelling Skin Permeability in Risk Assessment-the Future, Chemosphere 55, p. 1309.