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Volumn 20, Issue 1, 2007, Pages 114-128

4D-fingerprint categorical QSAR models for skin sensitization based on the classification of local lymph node assay measures

Author keywords

[No Author keywords available]

Indexed keywords

ARTICLE; HYDROGEN BOND; LOCAL LYMPH NODE ASSAY; MOLECULAR MODEL; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SKIN ALLERGY; SKIN SENSITIZATION;

EID: 33846875208     PISSN: 0893228X     EISSN: None     Source Type: Journal    
DOI: 10.1021/tx6002535     Document Type: Article
Times cited : (27)

References (39)
  • 1
    • 0028489938 scopus 로고
    • How cells process antigens
    • Engelhard, V. H. (1994) How cells process antigens. Sci. Am. 271, 54-61.
    • (1994) Sci. Am , vol.271 , pp. 54-61
    • Engelhard, V.H.1
  • 2
    • 0026504266 scopus 로고
    • The murine local lymph node assay; collaborative studies and directions: A commentary
    • Kimber I., and Basketter D. A. (1992) The murine local lymph node assay; collaborative studies and directions: A commentary. Food Chem. Toxicol. 30, 165-169;
    • (1992) Food Chem. Toxicol , vol.30 , pp. 165-169
    • Kimber, I.1    Basketter, D.A.2
  • 3
    • 0034111053 scopus 로고    scopus 로고
    • Use of the local lymph node assay for the estimation of relative contact allergy potency
    • Basketter D. A., et al. (2000) Use of the local lymph node assay for the estimation of relative contact allergy potency. Contact Dermatitis 42, 344-348.
    • (2000) Contact Dermatitis , vol.42 , pp. 344-348
    • Basketter, D.A.1
  • 4
    • 33846872101 scopus 로고    scopus 로고
    • EC2003. 2003/15/EC. Commission Directive of 27 February 2003 amending Council Directive 76/768/EEC on the approximation of laws of the Meber States relating to cosmetic products. Off. J. Eur. Union L66, 26-35. http://www.europa.eu.int/comm/environment/chemicals/ index.html.
    • EC2003. 2003/15/EC. Commission Directive of 27 February 2003 amending Council Directive 76/768/EEC on the approximation of laws of the Meber States relating to cosmetic products. Off. J. Eur. Union L66, 26-35. http://www.europa.eu.int/comm/environment/chemicals/ index.html.
  • 5
    • 85025403160 scopus 로고
    • Studies on the sensitization of animals with simple chemical compounds
    • Landsteiner, K., and Jacobs, J. (1936) Studies on the sensitization of animals with simple chemical compounds. J. Exp. Med. 64, 625-639.
    • (1936) J. Exp. Med , vol.64 , pp. 625-639
    • Landsteiner, K.1    Jacobs, J.2
  • 6
    • 0023637880 scopus 로고
    • Structure-activity relationships for skin sensitisation potential of diacrylates and dimethacrylates
    • Roberts, D. W. (1987) Structure-activity relationships for skin sensitisation potential of diacrylates and dimethacrylates. Contact Dermatitis 17, 281-289.
    • (1987) Contact Dermatitis , vol.17 , pp. 281-289
    • Roberts, D.W.1
  • 7
    • 0026055109 scopus 로고
    • Refinement of the relative alkylation index (RAI) model for skin sensitization and application to mouse and guinea-pig test data for alkyl alkanesulphonates
    • Roberts, D. W., Fraginals, R., Lepoittevin, J. P., and Benezra, C. (1991) Refinement of the relative alkylation index (RAI) model for skin sensitization and application to mouse and guinea-pig test data for alkyl alkanesulphonates. Arch. Dermatol. Res. 283, 387-394.
    • (1991) Arch. Dermatol. Res , vol.283 , pp. 387-394
    • Roberts, D.W.1    Fraginals, R.2    Lepoittevin, J.P.3    Benezra, C.4
  • 8
    • 0026644007 scopus 로고
    • The value of the local lymph node assay in quantitative structure-activity investigations
    • Basketter, D. A., Roberts, D. W., Cronin, M., and Scholes, E. W. (1992) The value of the local lymph node assay in quantitative structure-activity investigations. Contact Dermatitis 27, 137-142.
    • (1992) Contact Dermatitis , vol.27 , pp. 137-142
    • Basketter, D.A.1    Roberts, D.W.2    Cronin, M.3    Scholes, E.W.4
  • 9
  • 10
    • 0023637880 scopus 로고
    • Structure-activity relationships for skin sensitization potential of diacrylates and dimethacrylates
    • Roberts, D. W. (1987) Structure-activity relationships for skin sensitization potential of diacrylates and dimethacrylates. Contact Dermatitis 17, 281-289.
    • (1987) Contact Dermatitis , vol.17 , pp. 281-289
    • Roberts, D.W.1
  • 11
    • 0032768068 scopus 로고    scopus 로고
    • Structure-activity relationships in the murine local lymph node assay for skin sensitization: αβ- diketones
    • Roberts, D. W., York, M., and Basketter, D. A. (1999) Structure-activity relationships in the murine local lymph node assay for skin sensitization: αβ- diketones. Contact Dermatitis 41, 264-271.
    • (1999) Contact Dermatitis , vol.41 , pp. 264-271
    • Roberts, D.W.1    York, M.2    Basketter, D.A.3
  • 13
    • 0020355123 scopus 로고
    • The derivation of quantitative correlations between skin sensitisation and physiochemical parameters for alkylating agents, and their application to experimental data for sultones
    • Roberts, D. W., and Williams, D. L. (1982) The derivation of quantitative correlations between skin sensitisation and physiochemical parameters for alkylating agents, and their application to experimental data for sultones. J. Theor. Biol. 99, 807-825.
    • (1982) J. Theor. Biol , vol.99 , pp. 807-825
    • Roberts, D.W.1    Williams, D.L.2
  • 14
    • 0025610036 scopus 로고
    • A quantitative structure activity/dose response relationship for contact allergic potential of alkyl group transfer agents
    • Roberts, D. W., and Basketter, D. A. (1990) A quantitative structure activity/dose response relationship for contact allergic potential of alkyl group transfer agents. Contact Dermatitis 23, 331-335.
    • (1990) Contact Dermatitis , vol.23 , pp. 331-335
    • Roberts, D.W.1    Basketter, D.A.2
  • 15
    • 0025007165 scopus 로고
    • A quantitative structure activity/dose relationship for contact allergic potential of alkyl group transfer agents
    • Basketter, D. A., and Roberts, D. W. (1990) A quantitative structure activity/dose relationship for contact allergic potential of alkyl group transfer agents. Toxicol. in Vitro 4, 686-687.
    • (1990) Toxicol. in Vitro , vol.4 , pp. 686-687
    • Basketter, D.A.1    Roberts, D.W.2
  • 16
    • 0027184440 scopus 로고
    • Quantitative structure-activity relationships for skin sensitization potential of urushiol analogues
    • Roberts, D. W., and Benezra, C. (1993) Quantitative structure-activity relationships for skin sensitization potential of urushiol analogues. Contact Dermatitis 29, 78-83.
    • (1993) Contact Dermatitis , vol.29 , pp. 78-83
    • Roberts, D.W.1    Benezra, C.2
  • 17
    • 0028191789 scopus 로고
    • Multivariate QSAR analysis of a skin sensitization database
    • Cronin, M. T., and Basketter, D. A. (1994) Multivariate QSAR analysis of a skin sensitization database. SAR QSAR Environ. Res. 2, 159-179.
    • (1994) SAR QSAR Environ. Res , vol.2 , pp. 159-179
    • Cronin, M.T.1    Basketter, D.A.2
  • 19
    • 0031458337 scopus 로고    scopus 로고
    • A quantitative structure-toxicity relationships model for the dermal sensitization guinea pig maximization assay
    • Enslein, K., Gombar, V. K., Blake, B. W., Maibach, H. I., Hostynek, J. J., et al. (1997) A quantitative structure-toxicity relationships model for the dermal sensitization guinea pig maximization assay. Food Chem. Toxicol. 35, 1091-1098.
    • (1997) Food Chem. Toxicol , vol.35 , pp. 1091-1098
    • Enslein, K.1    Gombar, V.K.2    Blake, B.W.3    Maibach, H.I.4    Hostynek, J.J.5
  • 20
    • 2942512914 scopus 로고    scopus 로고
    • QSAR study of skin sensitization using local lymph node assay data
    • Fedorowicz, A., Zheng, L., Singh, H., and Demchuk, E. (2004) QSAR study of skin sensitization using local lymph node assay data. Int. J. Mol. Sc. 5, 56-66.
    • (2004) Int. J. Mol. Sc , vol.5 , pp. 56-66
    • Fedorowicz, A.1    Zheng, L.2    Singh, H.3    Demchuk, E.4
  • 21
    • 0014480637 scopus 로고
    • The identification of contact allergens by animal assay. The guinea pig maximization test
    • Magnusson, B., and Kligman, A. M. (1969) The identification of contact allergens by animal assay. The guinea pig maximization test. J. Invest. Dermatol. 52, 268-276.
    • (1969) J. Invest. Dermatol , vol.52 , pp. 268-276
    • Magnusson, B.1    Kligman, A.M.2
  • 23
    • 0033395381 scopus 로고    scopus 로고
    • Threshold for classification as a skin sensitizer in the local lymph node assay: A statistical evaluation
    • Basketter, D. A., Lea, L. J., Cooper, K., Stocks, J., Dickens, A., et al. (1999) Threshold for classification as a skin sensitizer in the local lymph node assay: a statistical evaluation. Food Chem. Toxicol. 37, 1167-1174.
    • (1999) Food Chem. Toxicol , vol.37 , pp. 1167-1174
    • Basketter, D.A.1    Lea, L.J.2    Cooper, K.3    Stocks, J.4    Dickens, A.5
  • 24
    • 33846879568 scopus 로고    scopus 로고
    • Classification According to Potency
    • European Centre for Ecotoxicology and Toxicology of Chemicals ECETOC, Technical Report No. 87, Contact Sensitisation:, Brussels, Belgium, April
    • European Centre for Ecotoxicology and Toxicology of Chemicals (ECETOC). Technical Report No. 87, Contact Sensitisation: Classification According to Potency. Brussels, Belgium, April 2003.
    • (2003)
  • 25
    • 0035470284 scopus 로고    scopus 로고
    • Estimation of molecular similarity based on 4D-QSAR analysis: Formalism and validation
    • Duca, J. S., and Hopfinger, A. J. (2001) Estimation of molecular similarity based on 4D-QSAR analysis: formalism and validation. J. Chem. Inf. Comput. Sci. 41, 1367-1387.
    • (2001) J. Chem. Inf. Comput. Sci , vol.41 , pp. 1367-1387
    • Duca, J.S.1    Hopfinger, A.J.2
  • 26
    • 0030700312 scopus 로고    scopus 로고
    • Construction of 3D-QSAR models using the 4D-QSAR analysis formalism
    • Hopfinger, A. J., Wang, S., Tokarski, J. S., Jin, B., Albuquerque, M., et al. (1997) Construction of 3D-QSAR models using the 4D-QSAR analysis formalism. J. Am. Chem. Soc. 119, 10509-10524.
    • (1997) J. Am. Chem. Soc , vol.119 , pp. 10509-10524
    • Hopfinger, A.J.1    Wang, S.2    Tokarski, J.S.3    Jin, B.4    Albuquerque, M.5
  • 28
    • 0028347172 scopus 로고
    • T cell recognition of haptens, a molecular view
    • Martin, S., and Weltzien, H. U. (1994) T cell recognition of haptens, a molecular view. Int. Arch. Allergy Immunol. 104, 10-16.
    • (1994) Int. Arch. Allergy Immunol , vol.104 , pp. 10-16
    • Martin, S.1    Weltzien, H.U.2
  • 29
    • 0031213901 scopus 로고    scopus 로고
    • Classification of environmentally occurring chemicals using structural fragments and PLS discriminant analysis
    • Nouwen, J., Lindgren, F., Hansen, B., and Karcher, W. (1997) Classification of environmentally occurring chemicals using structural fragments and PLS discriminant analysis. Environ. Sci. Technol. 31, 2313-2318.
    • (1997) Environ. Sci. Technol , vol.31 , pp. 2313-2318
    • Nouwen, J.1    Lindgren, F.2    Hansen, B.3    Karcher, W.4
  • 30
    • 0036166439 scopus 로고    scopus 로고
    • Tumor classification by partial least-squares using microarray gene expression data
    • Nguyen, D. V., and Rocke, D. M. (2002) Tumor classification by partial least-squares using microarray gene expression data. Bioinformatics 18, 39-50.
    • (2002) Bioinformatics , vol.18 , pp. 39-50
    • Nguyen, D.V.1    Rocke, D.M.2
  • 32
    • 33846866012 scopus 로고    scopus 로고
    • CHEMLAB-II Users Guide; CHEMLAB, Inc
    • IL
    • Pearlstein, R. A. CHEMLAB-II Users Guide; CHEMLAB, Inc., Lake Forest, IL 1998.
    • (1998) Lake Forest
    • Pearlstein, R.A.1
  • 33
    • 45249127902 scopus 로고
    • Principle component analysis and partial least-squares regression
    • Glen, W. G., Dunn III, W. J., and Scott, D. R. (1989) Principle component analysis and partial least-squares regression. Tetrahedron Comput. Methodol. 2, 349-376.
    • (1989) Tetrahedron Comput. Methodol , vol.2 , pp. 349-376
    • Glen, W.G.1    Dunn III, W.J.2    Scott, D.R.3
  • 36
    • 33846872521 scopus 로고    scopus 로고
    • Institute, S. (1999) SAS/STAT User's Guide, Version 8, SAS Institute Inc., Cary, NC.
    • Institute, S. (1999) SAS/STAT User's Guide, Version 8, SAS Institute Inc., Cary, NC.
  • 37
    • 3042747086 scopus 로고    scopus 로고
    • Cytokines and chemokines in the initiation and regulation of epidermal Langerhans cell mobilization
    • Kimber, I., Cumberbatch, M., Dearman, R. J., Bhushan, M., and Griffiths, C. E. (2000) Cytokines and chemokines in the initiation and regulation of epidermal Langerhans cell mobilization. Br. J. Dermatol. 142, 410-41.
    • (2000) Br. J. Dermatol , vol.142 , pp. 410-441
    • Kimber, I.1    Cumberbatch, M.2    Dearman, R.J.3    Bhushan, M.4    Griffiths, C.E.5


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