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Volumn 930, Issue , 2013, Pages 67-98

Mutagenicity, carcinogenicity, and other end points

Author keywords

Chemicals; Databases; Expert systems; Human health; Predictive toxicology; QSAR; Structural alerts; Structure activity; Toxicology

Indexed keywords

CARCINOGEN; MUTAGENIC AGENT;

EID: 84870531794     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-62703-059-5_4     Document Type: Article
Times cited : (14)

References (80)
  • 1
    • 0021231996 scopus 로고
    • Domestication of chemistry by design of safer chemicals: Structure-activity relationships
    • Ariens EJ (1984) Domestication of chemistry by design of safer chemicals: Structure-activity relationships. Drug Metab Rev 15:425-504
    • (1984) Drug Metab Rev , vol.15 , pp. 425-504
    • Ariens, E.J.1
  • 2
    • 0040914011 scopus 로고
    • R-s-p Analysis. A method for the correlation of biological activity and chemical structure
    • Hansch C, Fujita T (1964) r-s-p Analysis. A method for the correlation of biological activity and chemical structure. J Am Chem Soc 86: 1616-1626
    • (1964) J Am Chem Soc , vol.86 , pp. 1616-1626
    • Hansch, C.1    Fujita, T.2
  • 3
    • 0036516054 scopus 로고    scopus 로고
    • Chem-bioinformatics: Comparative QSAR at the interface between chemistry and biology
    • Hansch C, Hoekman D, Leo A et al (2002) Chem-bioinformatics: Comparative QSAR at the interface between chemistry and biology. Chem Rev 102:783-812
    • (2002) Chem Rev , vol.102 , pp. 783-812
    • Hansch, C.1    Hoekman, D.2    Leo, A.3
  • 4
    • 0000353230 scopus 로고    scopus 로고
    • The characterization of chemical structures using molecular properties. A survey
    • Livingstone DJ (2000) The characterization of chemical structures using molecular properties. A survey. J Chem Inf Comput Sci 40:195-209
    • (2000) J Chem Inf Comput Sci , vol.40 , pp. 195-209
    • Livingstone, D.J.1
  • 5
    • 84984376233 scopus 로고
    • New molecular descriptors for 2D and 3D structures. Theory
    • Todeschini R, Lasagni M, Marengo E (1994) New molecular descriptors for 2D and 3D structures. Theory. J Chemom 8:263-272
    • (1994) J Chemom , vol.8 , pp. 263-272
    • Todeschini, R.1    Lasagni, M.2    Marengo, E.3
  • 6
    • 67650914244 scopus 로고    scopus 로고
    • Predicting the vapour pressure of chemicals from structure: A comparison of graph theoretic versus quantum chemical descriptors
    • Basak SC, Mills D (2009) Predicting the vapour pressure of chemicals from structure: A comparison of graph theoretic versus quantum chemical descriptors. SAR QSAR Environ Res 20:119-132
    • (2009) SAR QSAR Environ Res , vol.20 , pp. 119-132
    • Basak, S.C.1    Mills, D.2
  • 7
    • 46349107412 scopus 로고    scopus 로고
    • Quantum chemical foundation of the topological substructural molecular design
    • Estrada E (2008) Quantum chemical foundation of the topological substructural molecular design. J Phys Chem A 112:5208-5217
    • (2008) J Phys Chem A , vol.112 , pp. 5208-5217
    • Estrada, E.1
  • 8
    • 73749087238 scopus 로고    scopus 로고
    • A topological substructural molecular design approach for predicting mutagenesis end points of ab-unsaturated carbonyl compounds
    • Perez-Garrido A, Helguera AM, Lopez GC et al (2010) A topological substructural molecular design approach for predicting mutagenesis end points of ab-unsaturated carbonyl compounds. Toxicology 268:64-77
    • (2010) Toxicology , vol.268 , pp. 64-77
    • Perez-Garrido, A.1    Helguera, A.M.2    Lopez, G.C.3
  • 9
    • 0019156412 scopus 로고
    • Structure-activity analyzed by pattern recognition: The asymmetric case
    • Dunn WJ, Wold S (1980) Structure-activity analyzed by pattern recognition: The asymmetric case. J Med Chem 23:595-599
    • (1980) J Med Chem , vol.23 , pp. 595-599
    • Dunn, W.J.1    Wold, S.2
  • 10
    • 0028825274 scopus 로고
    • Chemometrics-what do we mean with it, and what do we want from it
    • Wold S (1995) Chemometrics-what do we mean with it, and what do we want from it. Chemom Intell Lab Syst 30(1):109-115
    • (1995) Chemom Intell Lab Syst , vol.30 , Issue.1 , pp. 109-115
    • Wold, S.1
  • 11
    • 0027945214 scopus 로고
    • Analysis of linear and nonlinear QSAR data using neural networks
    • Manallack DT, Ellis DD, Livingstone DJ (1994) Analysis of linear and nonlinear QSAR data using neural networks. J Med Chem 37:3758-3767
    • (1994) J Med Chem , vol.37 , pp. 3758-3767
    • Manallack, D.T.1    Ellis, D.D.2    Livingstone, D.J.3
  • 12
    • 72949101619 scopus 로고    scopus 로고
    • Interpretation of nonlinear QSAR models applied to Ames mutagenicity data
    • Carlsson L, Helgee EA, Boyer S (2009) Interpretation of nonlinear QSAR models applied to Ames mutagenicity data. J Chem Inf Model 49: 2551-2558
    • (2009) J Chem Inf Model , vol.49 , pp. 2551-2558
    • Carlsson, L.1    Helgee, E.A.2    Boyer, S.3
  • 13
    • 77954048321 scopus 로고    scopus 로고
    • Pharmaceutical perspectives of nonlinear QSAR strategies
    • Michielan L, Moro S (2010) Pharmaceutical perspectives of nonlinear QSAR strategies. J Chem Inf Model 50:961-978
    • (2010) J Chem Inf Model , vol.50 , pp. 961-978
    • Michielan, L.1    Moro, S.2
  • 17
    • 0002906202 scopus 로고
    • Hystory and objectives of quantitative drug design
    • Hansch C (ed) Pergamon, Oxford
    • Tute MS (1990) Hystory and objectives of quantitative drug design. In: Hansch C (ed) Comprehensive medicinal chemistry. Pergamon, Oxford, pp 1-31
    • (1990) Comprehensive Medicinal Chemistry. , pp. 1-31
    • Tute, M.S.1
  • 21
    • 0036179149 scopus 로고    scopus 로고
    • Use of mechanism-based structure-activity relationships analysis in carcinogenic potential ranking for drinking water disinfection byproducts
    • Woo YT, Lai DY, McLain JL et al (2002) Use of mechanism-based structure-activity relationships analysis in carcinogenic potential ranking for drinking water disinfection byproducts. Environ Health Perspect 110:75-87
    • (2002) Environ Health Perspect , vol.110 , pp. 75-87
    • Woo, Y.T.1    Lai, D.Y.2    McLain, J.L.3
  • 22
    • 0027230528 scopus 로고
    • Predictive strategies for selecting 379 NCI/NTP chemicals evaluated for carcinogenic potential: Scientific and public health impact
    • Fung VA, Huff J, Weisburger EK, Hoel DG (1993) Predictive strategies for selecting 379 NCI/NTP chemicals evaluated for carcinogenic potential: Scientific and public health impact. Fund Appl Toxicol 20:413-436
    • (1993) Fund Appl Toxicol , vol.20 , pp. 413-436
    • Fung, V.A.1    Huff, J.2    Weisburger, E.K.3    Hoel, D.G.4
  • 23
    • 0032619762 scopus 로고    scopus 로고
    • Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR
    • Greene N, Judson PN, Langowski JJ et al (1999) Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR. SAR QSAR Environ Res 10:299-314
    • (1999) SAR QSAR Environ Res , vol.10 , pp. 299-314
    • Greene, N.1    Judson, P.N.2    Langowski, J.J.3
  • 24
    • 84987846067 scopus 로고    scopus 로고
    • Oncologic: A mechanism based expert system for predicting the carcinogenic potential of chemicals
    • Helma C (ed) Taylor and Francis, Boca Raton, FL
    • Woo YT, Lai DY (2005) Oncologic: A mechanism based expert system for predicting the carcinogenic potential of chemicals. In: Helma C (ed) Predictive toxicology. Taylor and Francis, Boca Raton, FL, pp 385-413
    • (2005) Predictive Toxicology. , pp. 385-413
    • Woo, Y.T.1    Lai, D.Y.2
  • 25
    • 0032439450 scopus 로고    scopus 로고
    • An integrative approach of combining mechanistically complementary short-term predictive tests as a basis for assessing the carcinogenic potential of chemicals
    • Woo YT, Lai DY, Argus MF et al (1998) An integrative approach of combining mechanistically complementary short-term predictive tests as a basis for assessing the carcinogenic potential of chemicals. J Environ Sci Health C: Environ Carcinog Ecotoxicol Rev C16:101-122
    • (1998) J Environ Sci Health C: Environ Carcinog Ecotoxicol Rev C16 , pp. 101-122
    • Woo, Y.T.1    Lai, D.Y.2    Argus, M.F.3
  • 26
    • 73749088210 scopus 로고    scopus 로고
    • The Benigni/Bossa rulebase for mutagenicity and carcinogenicity-A module of Toxtree
    • Office for the Official Publications of the European Communities, Luxenbourg. EUR-Scientific and Technical Report Series. Ref Type: Report
    • Benigni R, Bossa C, Jeliazkova NG et al (2008) The Benigni/Bossa rulebase for mutagenicity and carcinogenicity-a module of Toxtree. EUR 23241 EN. Office for the Official Publications of the European Communities, Luxenbourg. EUR-Scientific and Technical Report Series. Ref Type: Report
    • (2008) EUR 23241 EN
    • Benigni, R.1    Bossa, C.2    Jeliazkova, N.G.3
  • 27
    • 49849084348 scopus 로고    scopus 로고
    • Structure alerts for carcinogenicity, and the Salmonella assay system: A novel insight through the chemical relational databases technology
    • Benigni R, Bossa C (2008) Structure alerts for carcinogenicity, and the Salmonella assay system: A novel insight through the chemical relational databases technology. Mutat Res Rev 659:248-261
    • (2008) Mutat Res Rev , vol.659 , pp. 248-261
    • Benigni, R.1    Bossa, C.2
  • 28
    • 0026321207 scopus 로고
    • Structure-activity relationships of chemical mutagens and carcinogens
    • Hansch C (1991) Structure-activity relationships of chemical mutagens and carcinogens. Sci Total Environ 109(110):17-29
    • (1991) Sci Total Environ , vol.109 , Issue.110 , pp. 17-29
    • Hansch, C.1
  • 29
    • 20044383057 scopus 로고    scopus 로고
    • Structure-activity relationship studies of chemical mutagens and carcinogens: Mechanistic investigations and prediction approaches
    • Benigni R (2005) Structure-activity relationship studies of chemical mutagens and carcinogens: Mechanistic investigations and prediction approaches. Chem Rev 105:1767-1800
    • (2005) Chem Rev , vol.105 , pp. 1767-1800
    • Benigni, R.1
  • 30
    • 0027954402 scopus 로고
    • Use of SAR in computer-assisted prediction of carcinogenicity and mutagenicity of chemicals by the TOPKAT program
    • Enslein K, Gombar VK, Blake BW (1994) Use of SAR in computer-assisted prediction of carcinogenicity and mutagenicity of chemicals by the TOPKAT program. Mutat Res 305:47-61
    • (1994) Mutat Res , vol.305 , pp. 47-61
    • Enslein, K.1    Gombar, V.K.2    Blake, B.W.3
  • 31
    • 0026778110 scopus 로고
    • Multicase 1. A hierarchical computer automated structure evaluation program
    • Klopman G (1992) Multicase 1. A hierarchical computer automated structure evaluation program. Quant Struct Act Relat 11:176-184
    • (1992) Quant Struct Act Relat , vol.11 , pp. 176-184
    • Klopman, G.1
  • 33
    • 33746256602 scopus 로고    scopus 로고
    • Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity
    • Helma C (2006) Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity. Mol Divers 10:147-158
    • (2006) Mol Divers , vol.10 , pp. 147-158
    • Helma, C.1
  • 34
    • 0031698019 scopus 로고    scopus 로고
    • Quantitative structure-based modeling applied to characterization and prediction of chemical toxicity
    • Benigni R, Richard AM (1998) Quantitative structure-based modeling applied to characterization and prediction of chemical toxicity. Methods 14:264-276
    • (1998) Methods , vol.14 , pp. 264-276
    • Benigni, R.1    Richard, A.M.2
  • 35
    • 77953926461 scopus 로고    scopus 로고
    • Alternatives to the carcinogenicity bioassay: In silico methods, and the in vitro and in vivo mutagenicity assays
    • Benigni R, Bossa C, Tcheremenskaia O et al (2010) Alternatives to the carcinogenicity bioassay: In silico methods, and the in vitro and in vivo mutagenicity assays. Exp Opin Drug Metab Toxicol 6:1-11
    • (2010) Exp Opin Drug Metab Toxicol , vol.6 , pp. 1-11
    • Benigni, R.1    Bossa, C.2    Tcheremenskaia, O.3
  • 37
    • 0029586108 scopus 로고
    • QSAR in toxicology. 4. Prediction of non-lethal mammalian toxicological end points, and expert systems for toxicity prediction
    • Cronin MTD, Dearden JC (1995) QSAR in toxicology. 4. Prediction of non-lethal mammalian toxicological end points, and expert systems for toxicity prediction. Quant Struct Act Relat 14:518-523
    • (1995) Quant Struct Act Relat , vol.14 , pp. 518-523
    • Cronin, M.T.D.1    Dearden, J.C.2
  • 38
    • 0037204541 scopus 로고    scopus 로고
    • Computer systems for the prediction of toxicity: An update
    • Greene N (2002) Computer systems for the prediction of toxicity: An update. Adv Drug Deliv Rev 54:417-431
    • (2002) Adv Drug Deliv Rev , vol.54 , pp. 417-431
    • Greene, N.1
  • 39
    • 0011685925 scopus 로고
    • On the predictive value of QSAR
    • Keverling Buisman JA (ed) Elsevier, Amsterdam
    • Hansch C (1977) On the predictive value of QSAR. In: Keverling Buisman JA (ed) Biological activity and chemical structure. Elsevier, Amsterdam
    • (1977) Biological Activity and Chemical Structure.
    • Hansch, C.1
  • 40
    • 0141462446 scopus 로고    scopus 로고
    • (Q)SARs: Gatekeepers against risk on chemicals?
    • Hulzebos EM, Posthumus R (2003) (Q)SARs: Gatekeepers against risk on chemicals? SAR QSAR Environ Res 14:285-316
    • (2003) SAR QSAR Environ Res , vol.14 , pp. 285-316
    • Hulzebos, E.M.1    Posthumus, R.2
  • 41
    • 33845984006 scopus 로고    scopus 로고
    • What works and what does not: Lessons fromexperience in a pharmaceutical company
    • Martin YC (2006) What works and what does not: Lessons fromexperience in a pharmaceutical company. QSAR Combinat Sci 25:1192-1200
    • (2006) QSAR Combinat Sci , vol.25 , pp. 1192-1200
    • Martin, Y.C.1
  • 42
    • 0035468216 scopus 로고    scopus 로고
    • Integration of computational analysis as a sentinel tool in toxicologic assessments
    • Pearl GM, Livingstone-Carr S, Durham SK (2001) Integration of computational analysis as a sentinel tool in toxicologic assessments. Curr Top Med Chem 1:247-255
    • (2001) Curr Top Med Chem , vol.1 , pp. 247-255
    • Pearl, G.M.1    Livingstone-Carr, S.2    Durham, S.K.3
  • 43
    • 0032435458 scopus 로고    scopus 로고
    • Commercial toxicology prediction systems: A regulatory perspective
    • Richard AM (1998) Commercial toxicology prediction systems: A regulatory perspective. Toxicol Lett 102-103:611-616
    • (1998) Toxicol Lett , vol.102-103 , pp. 611-616
    • Richard, A.M.1
  • 44
    • 2442548465 scopus 로고    scopus 로고
    • Assessment of the sensitivity of the computational programs DEREK, TOPKAT, and MCASE in the prediction of the genotoxicity of pharmaceutical molecules
    • Snyder RD, Pearl GM, Mandakas G et al (2004) Assessment of the sensitivity of the computational programs DEREK, TOPKAT, and MCASE in the prediction of the genotoxicity of pharmaceutical molecules. Environ Mol Mutagen 43:143-158
    • (2004) Environ Mol Mutagen , vol.43 , pp. 143-158
    • Snyder, R.D.1    Pearl, G.M.2    Mandakas, G.3
  • 45
    • 34250795654 scopus 로고    scopus 로고
    • Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling
    • Valerio LG, Arvidson KB, Chanderbhan RF et al (2007) Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling. Toxicol Appl Pharmacol 222:1-16
    • (2007) Toxicol Appl Pharmacol , vol.222 , pp. 1-16
    • Valerio, L.G.1    Arvidson, K.B.2    Chanderbhan, R.F.3
  • 46
    • 0029792158 scopus 로고    scopus 로고
    • Prediction of Salmonella mutagenicity
    • Zeiger E, Ashby J, Bakale G et al (1996) Prediction of Salmonella mutagenicity. Mutagen 11:474-484
    • (1996) Mutagen , vol.11 , pp. 474-484
    • Zeiger, E.1    Ashby, J.2    Bakale, G.3
  • 47
    • 40249101197 scopus 로고    scopus 로고
    • Collection and evaluation of (Q)SAR models for mutagenicity and carcinogenicity
    • Office for the Official Publications of the European Communities, Luxenbourg. EUR-Scientific and Technical Research Series. Ref Type: Report 12-7-2007
    • Benigni R, Bossa C, Netzeva TI, et al (2007) Collection and evaluation of (Q)SAR models for mutagenicity and carcinogenicity. EUR 22772 EN. Office for the Official Publications of the European Communities, Luxenbourg. EUR-Scientific and Technical Research Series. 12-7-2007. Ref Type: Report
    • (2007) EUR 22772 EN
    • Benigni, R.1    Bossa, C.2    Netzeva, T.I.3
  • 48
    • 0029153221 scopus 로고
    • Development of structure-activity relationship rules for predicting carcinogenic potential of chemicals
    • Woo YT, Lai DY, Argus MF et al (1995) Development of structure-activity relationship rules for predicting carcinogenic potential of chemicals. Toxicol Lett 79:219-228
    • (1995) Toxicol Lett , vol.79 , pp. 219-228
    • Woo, Y.T.1    Lai, D.Y.2    Argus, M.F.3
  • 49
    • 0141611162 scopus 로고    scopus 로고
    • Designing safer drugs: (Q)SAR-based identification of mutagens and carcinogens
    • Benigni R, Zito R (2003) Designing safer drugs: (Q)SAR-based identification of mutagens and carcinogens. Curr Top Med Chem 3:1289-1300
    • (2003) Curr Top Med Chem , vol.3 , pp. 1289-1300
    • Benigni, R.1    Zito, R.2
  • 50
    • 0022400101 scopus 로고
    • Fundamental structural alerts to potential carcinogenicity or noncarcinogenicity
    • Ashby J (1985) Fundamental structural alerts to potential carcinogenicity or noncarcinogenicity. Environ Mutagen 7:919-921
    • (1985) Environ Mutagen , vol.7 , pp. 919-921
    • Ashby, J.1
  • 51
    • 0023856614 scopus 로고
    • Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested by the U.S.NCI/NTP
    • Ashby J, Tennant RW (1988) Chemical structure, Salmonella mutagenicity and extent of carcinogenicity as indicators of genotoxic carcinogenesis among 222 chemicals tested by the U.S.NCI/NTP. Mutat Res 204:17-115
    • (1988) Mutat Res , vol.204 , pp. 17-115
    • Ashby, J.1    Tennant, R.W.2
  • 52
    • 0002948521 scopus 로고
    • Measuring intra-assay agreement for the Ames Salmonella assay
    • Rienhoff O, Lindberg DAB (eds) Springer, Heidelberg
    • Piegorsch WW, Zeiger E (1991) Measuring intra-assay agreement for the Ames Salmonella assay. In: Rienhoff O, Lindberg DAB (eds) Statistical methods in toxicology. Springer, Heidelberg, pp 35-41
    • (1991) Statistical Methods in Toxicology. , pp. 35-41
    • Piegorsch, W.W.1    Zeiger, E.2
  • 54
    • 37449006161 scopus 로고    scopus 로고
    • Structure activity relationship analysis tools: Validation and applicability in predicting carcinogens
    • Mayer J, Cheeseman MA, Twaroski ML (2008) Structure activity relationship analysis tools: Validation and applicability in predicting carcinogens. Regulat Pharmacol Toxicol 50:50-58
    • (2008) Regulat Pharmacol Toxicol , vol.50 , pp. 50-58
    • Mayer, J.1    Cheeseman, M.A.2    Twaroski, M.L.3
  • 55
    • 0347052775 scopus 로고    scopus 로고
    • The second National Toxicology Program comparative exercise on the prediction of rodent carcinogenicity: Definitive results
    • Benigni R, Zito R (2004) The second National Toxicology Program comparative exercise on the prediction of rodent carcinogenicity: Definitive results. Mutat Res Rev 566:49-63
    • (2004) Mutat Res Rev , vol.566 , pp. 49-63
    • Benigni, R.1    Zito, R.2
  • 56
    • 0018079206 scopus 로고
    • Estimation of toxic hazard-A decision tree approach
    • Cramer GM, Ford RA, Hall RL (1978) Estimation of toxic hazard-a decision tree approach. Food Cosmet Toxicol 16:255-276
    • (1978) Food Cosmet Toxicol , vol.16 , pp. 255-276
    • Cramer, G.M.1    Ford, R.A.2    Hall, R.L.3
  • 57
    • 48649102067 scopus 로고    scopus 로고
    • The threshold of toxicological concern (TTC) in risk assessment
    • Munro IC, Renwick AG, Danielewska-Nikiel B (2008) The threshold of toxicological concern (TTC) in risk assessment. Toxicol Lett 180: 151-156
    • (2008) Toxicol Lett , vol.180 , pp. 151-156
    • Munro, I.C.1    Renwick, A.G.2    Danielewska-Nikiel, B.3
  • 58
    • 10744227159 scopus 로고    scopus 로고
    • Structure-based thresholds of toxicological concern (TTC): Guidance for application to substances present at low levels in the diet
    • Kroes R, Renwick AG, Cheeseman MA et al (2004) Structure-based thresholds of toxicological concern (TTC): Guidance for application to substances present at low levels in the diet. Food Chem Toxicol 42:65-83
    • (2004) Food Chem Toxicol , vol.42 , pp. 65-83
    • Kroes, R.1    Renwick, A.G.2    Cheeseman, M.A.3
  • 59
    • 0030250802 scopus 로고    scopus 로고
    • Correlation of structural class with No-Observed-Effect levels: A proposal for establishing a threshold of concern
    • Munro IC, Ford RA, Kennepohl E et al (1996) Correlation of structural class with No-Observed-Effect levels: A proposal for establishing a threshold of concern. Food Chem Toxicol 34:829-867
    • (1996) Food Chem Toxicol , vol.34 , pp. 829-867
    • Munro, I.C.1    Ford, R.A.2    Kennepohl, E.3
  • 60
    • 0033951115 scopus 로고    scopus 로고
    • Classifying environmental pollutants: Part 3. External validation of the classification system
    • Verhaar HJM, Solbe J, Speksnijder J et al (2000) Classifying environmental pollutants: Part 3. External validation of the classification system. Chemosphere 40:875-883
    • (2000) Chemosphere , vol.40 , pp. 875-883
    • Verhaar, H.J.M.1    Solbe, J.2    Speksnijder, J.3
  • 61
    • 18344375332 scopus 로고    scopus 로고
    • The skin irritation corrosion rules estimation tool (SICRET)
    • Walker JD, Gerner I, Hulzebos E et al (2005) The Skin Irritation Corrosion Rules Estimation Tool (SICRET). QSAR Combinat Sci 24: 378-384
    • (2005) QSAR Combinat Sci , vol.24 , pp. 378-384
    • Walker, J.D.1    Gerner, I.2    Hulzebos, E.3
  • 62
    • 9644255830 scopus 로고    scopus 로고
    • Use of physicochemical property limits to develop rules for identifying chemical substances with no skin irritation or corrosion potential
    • Gerner I, Schlegel K, Walker JD et al (2004) Use of physicochemical property limits to develop rules for identifying chemical substances with no skin irritation or corrosion potential. QSAR Combinat Sci 23:726-733
    • (2004) QSAR Combinat Sci , vol.23 , pp. 726-733
    • Gerner, I.1    Schlegel, K.2    Walker, J.D.3
  • 63
    • 18344395176 scopus 로고    scopus 로고
    • Use of structural alerts to develop rules for identifying chemical substances with skin irritation or skin corrosion potential
    • Hulzebos E, Walker JD, Gerner I et al (2005) Use of structural alerts to develop rules for identifying chemical substances with skin irritation or skin corrosion potential. QSAR Combinat Sci 24:332-342
    • (2005) QSAR Combinat Sci , vol.24 , pp. 332-342
    • Hulzebos, E.1    Walker, J.D.2    Gerner, I.3
  • 64
    • 22044433824 scopus 로고    scopus 로고
    • Assessment of the eye irritating properties of chemicals by applying alternatives to the Draize rabbit eye test: The use of QSARs and in vitro tests for the classification of eye irritation
    • Gerner I, Liebsch M, Spielmann H (2005) Assessment of the eye irritating properties of chemicals by applying alternatives to the Draize rabbit eye test: The use of QSARs and in vitro tests for the classification of eye irritation. Altern Lab Anim 33:215-237
    • (2005) Altern Lab Anim , vol.33 , pp. 215-237
    • Gerner, I.1    Liebsch, M.2    Spielmann, H.3
  • 65
    • 77953940392 scopus 로고    scopus 로고
    • Structural analysis and predictive value of the rodent in vivo micronucleus assay results
    • Benigni R, Bossa C, Worth AP (2010) Structural analysis and predictive value of the rodent in vivo micronucleus assay results. Mutagen 25:335-341
    • (2010) Mutagen , vol.25 , pp. 335-341
    • Benigni, R.1    Bossa, C.2    Worth, A.P.3
  • 66
    • 35148890884 scopus 로고    scopus 로고
    • Verification of the structural alerts for Michael acceptors
    • Schultz TW (2007) Verification of the structural alerts for Michael acceptors. Chem Res Toxicol 20:1359-1363
    • (2007) Chem Res Toxicol , vol.20 , pp. 1359-1363
    • Schultz, T.W.1
  • 67
    • 53849113018 scopus 로고    scopus 로고
    • Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach
    • Enoch SJ, Madden JC, Cronin MT (2008) Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach. SAR QSAR Environ Res 19:555-578
    • (2008) SAR QSAR Environ Res , vol.19 , pp. 555-578
    • Enoch, S.J.1    Madden, J.C.2    Cronin, M.T.3
  • 68
    • 25444520273 scopus 로고    scopus 로고
    • Skin sensitization: Reaction mechanistic applicability domains for structure-activity relationships
    • Aptula AO, Patlewicz G, Roberts DW (2005) Skin sensitization: Reaction mechanistic applicability domains for structure-activity relationships. Chem Res Toxicol 18:1420-1426
    • (2005) Chem Res Toxicol , vol.18 , pp. 1420-1426
    • Aptula, A.O.1    Patlewicz, G.2    Roberts, D.W.3
  • 69
    • 77953932263 scopus 로고    scopus 로고
    • SMARTCyp: A 2D method for prediction of cytochrome P450-mediated drug metabolism
    • Rydberg P, Gloriam DE, Zaretzki J et al (2010) SMARTCyp: A 2D method for prediction of cytochrome P450-mediated drug metabolism. ACS Med Chem Lett 1:96-100
    • (2010) ACS Med Chem Lett , vol.1 , pp. 96-100
    • Rydberg, P.1    Gloriam, D.E.2    Zaretzki, J.3
  • 70
    • 34248597840 scopus 로고    scopus 로고
    • Identification of the structural requirements for mutagencitiy, by incorporating molecular flexibility and metabolic activation of chemicals. II. General Ames mutagenicity model
    • Serafimova R, Todorov M, Pavlov T et al (2007) Identification of the structural requirements for mutagencitiy, by incorporating molecular flexibility and metabolic activation of chemicals. II. General Ames mutagenicity model. Chem Res Toxicol 20:662-676
    • (2007) Chem Res Toxicol , vol.20 , pp. 662-676
    • Serafimova, R.1    Todorov, M.2    Pavlov, T.3
  • 71
    • 79957469242 scopus 로고    scopus 로고
    • Collaborative development of predictive toxicology applications
    • Hardy B, Douglas N, Helma C et al (2010) Collaborative development of predictive toxicology applications. J Cheminf 2:7
    • (2010) J Cheminf , vol.2 , pp. 7
    • Hardy, B.1    Douglas, N.2    Helma, C.3
  • 72
    • 70449528780 scopus 로고    scopus 로고
    • In silico toxicology for the pharmaceutical sciences
    • Valerio LG (2009) In silico toxicology for the pharmaceutical sciences. Toxicol Appl Pharmacol 241:356-370
    • (2009) Toxicol Appl Pharmacol , vol.241 , pp. 356-370
    • Valerio, L.G.1
  • 73
    • 84881652399 scopus 로고    scopus 로고
    • Approaches to data gap filling in chemical categories
    • OECD. OECD Series on Testing and Assessment, Paris
    • OECD (2007) Approaches to data gap filling in chemical categories. Chapter 3: Guidance on grouping of chemicals, vol 80. OECD Series on Testing and Assessment, Paris, pp 30-41
    • (2007) Chapter 3: Guidance on Grouping of Chemicals , vol.80 , pp. 30-41
  • 74
    • 41049117650 scopus 로고    scopus 로고
    • Toxicity data informatics: Supporting a new paradigm for toxicity prediction
    • Richard AM, Yang C, Judson RS (2008) Toxicity data informatics: Supporting a new paradigm for toxicity prediction. Toxicol Mech Meth 18:103-118
    • (2008) Toxicol Mech Meth , vol.18 , pp. 103-118
    • Richard, A.M.1    Yang, C.2    Judson, R.S.3
  • 75
    • 30744453261 scopus 로고    scopus 로고
    • Landscape of current toxicity databases and database standards
    • Yang C, Benz RD, Cheeseman MA (2006) Landscape of current toxicity databases and database standards. Curr Opin Drug Discov Dev 9:124-133
    • (2006) Curr Opin Drug Discov Dev , vol.9 , pp. 124-133
    • Yang, C.1    Benz, R.D.2    Cheeseman, M.A.3
  • 76
    • 33646844277 scopus 로고    scopus 로고
    • The art of data mining the minefields of toxicity databases to link chemistry to biology
    • Yang C, Richard AM, Cross KP (2006) The art of data mining the minefields of toxicity databases to link chemistry to biology. Curr Comput Aid Drug Des 2:135-150
    • (2006) Curr Comput Aid Drug Des , vol.2 , pp. 135-150
    • Yang, C.1    Richard, A.M.2    Cross, K.P.3
  • 77
    • 45749117943 scopus 로고    scopus 로고
    • A novel approach: Chemical relational databases, and the role of the ISSCAN database on assessing chemical carcinogenicity
    • Benigni R, Bossa C, Richard AM et al (2008) A novel approach: Chemical relational databases, and the role of the ISSCAN database on assessing chemical carcinogenicity. Ann Ist Super Sanita 44:48-56
    • (2008) Ann Ist Super Sanita , vol.44 , pp. 48-56
    • Benigni, R.1    Bossa, C.2    Richard, A.M.3
  • 78
    • 12244257228 scopus 로고    scopus 로고
    • DSSTox web site launch: Improving public access to databases for building structure-toxicity prediction models
    • Richard AM (2004) DSSTox web site launch: Improving public access to databases for building structure-toxicity prediction models. Preclinica 2:103-108
    • (2004) Preclinica , vol.2 , pp. 103-108
    • Richard, A.M.1
  • 79
    • 55649116409 scopus 로고    scopus 로고
    • ACToR-Aggregated computational toxicology resource
    • Judson R, Richard AM, Dix D et al (2008) ACToR-aggregated computational toxicology resource. Toxicol Appl Pharmacol 233: 7-13
    • (2008) Toxicol Appl Pharmacol , vol.233 , pp. 7-13
    • Judson, R.1    Richard, A.M.2    Dix, D.3
  • 80
    • 33845620001 scopus 로고    scopus 로고
    • The ToxCast program for prioritizing toxicity testing of environmental chemicals
    • Dix DJ, Houck KA, Martin MT et al (2007) The ToxCast program for prioritizing toxicity testing of environmental chemicals. Toxicol Sci 95:5-12
    • (2007) Toxicol Sci , vol.95 , pp. 5-12
    • Dix, D.J.1    Houck, K.A.2    Martin, M.T.3


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