메뉴 건너뛰기




Volumn 75, Issue 1, 2012, Pages 213-222

A new quantitative structure-property relationship model to predict bioconcentration factors of polychlorinated biphenyls (PCBs) in fishes using E-state index and topological descriptors

Author keywords

Bioconcentration factor; OECD principles; OPS; PLS; Polychlorinated biphenyls; QSPR

Indexed keywords

POLYCHLORINATED BIPHENYL;

EID: 80655124530     PISSN: 01476513     EISSN: 10902414     Source Type: Journal    
DOI: 10.1016/j.ecoenv.2011.08.026     Document Type: Article
Times cited : (30)

References (60)
  • 1
    • 84858443481 scopus 로고    scopus 로고
    • ACD/ChemSketch 120, Advanced Chemistry Development, Toronto, Canada. Software Avaliable at: .
    • ACD/ChemSketch 120,2009. Advanced Chemistry Development, Toronto, Canada. Software Avaliable at: http://www.acdlabs.com.
    • (2009)
  • 2
    • 78650645856 scopus 로고    scopus 로고
    • To breastfeed or not to breastfeed: A review of the impact of lactational exposure to polychlorinated biphenyls (PCBs) on infants
    • Aliyu M.H., Alio A.P.E., Salinu H.M. To breastfeed or not to breastfeed: A review of the impact of lactational exposure to polychlorinated biphenyls (PCBs) on infants. J. Environ. Health 2010, 73:8-14.
    • (2010) J. Environ. Health , vol.73 , pp. 8-14
    • Aliyu, M.H.1    Alio, A.P.E.2    Salinu, H.M.3
  • 4
    • 33847026208 scopus 로고    scopus 로고
    • A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms
    • Arnot J.A., Gobas F.A.P.C. A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms. Environ. Rev. 2006, 14:257-297.
    • (2006) Environ. Rev. , vol.14 , pp. 257-297
    • Arnot, J.A.1    Gobas, F.A.P.C.2
  • 6
    • 77957371033 scopus 로고    scopus 로고
    • Polychlorinated biphenyls (PCBs) contamination and aryl hydrocarbon receptor (AhR) agonist activity of Omega-3 polyunsaturated fatty acid supplements: implications for daily intake of dioxins and PCBs
    • Bourdon J.A., Bazinet T.M., Arnason T.T., Kimpe L.E., Blais J.M., White P.A. Polychlorinated biphenyls (PCBs) contamination and aryl hydrocarbon receptor (AhR) agonist activity of Omega-3 polyunsaturated fatty acid supplements: implications for daily intake of dioxins and PCBs. Food Chem. Toxicol. 2010, 48:3093-3097.
    • (2010) Food Chem. Toxicol. , vol.48 , pp. 3093-3097
    • Bourdon, J.A.1    Bazinet, T.M.2    Arnason, T.T.3    Kimpe, L.E.4    Blais, J.M.5    White, P.A.6
  • 7
    • 79951944938 scopus 로고    scopus 로고
    • Studying placental transfer of highly purified non-dioxin-like PCBs in two models of the placental barrier
    • Carreira S.C., Cartwright L., Mathiesen L., Knudsen L.E., Saunders M. Studying placental transfer of highly purified non-dioxin-like PCBs in two models of the placental barrier. Placenta 2010, 32:283-291.
    • (2010) Placenta , vol.32 , pp. 283-291
    • Carreira, S.C.1    Cartwright, L.2    Mathiesen, L.3    Knudsen, L.E.4    Saunders, M.5
  • 8
    • 77951050223 scopus 로고    scopus 로고
    • Evaluation of model predictive ability by external validation techniques
    • Consonni V., Ballabio D., Todeschini R. Evaluation of model predictive ability by external validation techniques. J. Chemometr. 2010, 24:194-201.
    • (2010) J. Chemometr. , vol.24 , pp. 194-201
    • Consonni, V.1    Ballabio, D.2    Todeschini, R.3
  • 10
    • 84858441959 scopus 로고    scopus 로고
    • EPI Suite 400, EPA's Office of Pollution Prevention Toxics and Syracuse Research Corporation, Syracuse, USA, 2008. Available at: .
    • EPI Suite 400,2008. EPA's Office of Pollution Prevention Toxics and Syracuse Research Corporation, Syracuse, USA, 2008. Available at: http://www.epa.gov/oppt/exposure/pubs/episuite.htm.
    • (2008)
  • 12
    • 0043132440 scopus 로고    scopus 로고
    • Methods for reliability and uncertainty assessment and for applicability evaluations of classification and regression-based QSARs
    • Eriksson L., Jaworska J., Worth A.P., Cronin M.T.D., McDowell R.M., Gramatica P. Methods for reliability and uncertainty assessment and for applicability evaluations of classification and regression-based QSARs. Environ. Health Perspect. 2003, 111:1361-1375.
    • (2003) Environ. Health Perspect. , vol.111 , pp. 1361-1375
    • Eriksson, L.1    Jaworska, J.2    Worth, A.P.3    Cronin, M.T.D.4    McDowell, R.M.5    Gramatica, P.6
  • 13
    • 78650280341 scopus 로고    scopus 로고
    • Lead and PCBs as risk factors for attention deficit/hyperactivity disorder
    • Eubig P.A., Aguiar A., Schantz S.L. Lead and PCBs as risk factors for attention deficit/hyperactivity disorder. Environ. Health. Perspect. 2010, 118:1654-1667.
    • (2010) Environ. Health. Perspect. , vol.118 , pp. 1654-1667
    • Eubig, P.A.1    Aguiar, A.2    Schantz, S.L.3
  • 14
    • 79951468780 scopus 로고    scopus 로고
    • Relationship of polychlorinated biphenyls with type 2 diabetes and hypertension
    • Everett C.J., Frithsen I., Player M. Relationship of polychlorinated biphenyls with type 2 diabetes and hypertension. J. Environ. Monit. 2011, 13:241-251.
    • (2011) J. Environ. Monit. , vol.13 , pp. 241-251
    • Everett, C.J.1    Frithsen, I.2    Player, M.3
  • 16
    • 0010465904 scopus 로고    scopus 로고
    • Proposition, validation and analysis of QSAR models
    • Gaudio A.C., Zandonade E. Proposition, validation and analysis of QSAR models. Quim. Nova 2001, 24:658-671.
    • (2001) Quim. Nova , vol.24 , pp. 658-671
    • Gaudio, A.C.1    Zandonade, E.2
  • 18
    • 0042355453 scopus 로고    scopus 로고
    • Rational selection of training and test set for the development of validated QSAR models
    • Golbraikh A., Shen M., Xiao Z., Xiao Y., Lee K., Tropsha A. Rational selection of training and test set for the development of validated QSAR models. QSAR Comb. Chem. 2003, 17:241-253.
    • (2003) QSAR Comb. Chem. , vol.17 , pp. 241-253
    • Golbraikh, A.1    Shen, M.2    Xiao, Z.3    Xiao, Y.4    Lee, K.5    Tropsha, A.6
  • 19
    • 34250628103 scopus 로고    scopus 로고
    • Principles of QSAR models validation: internal and external
    • Gramatica P. Principles of QSAR models validation: internal and external. QSAR Comb. Chem. 2007, 26:694-701.
    • (2007) QSAR Comb. Chem. , vol.26 , pp. 694-701
    • Gramatica, P.1
  • 20
    • 0034065762 scopus 로고    scopus 로고
    • Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors
    • Gramatica P., Corradi M., Consonni V. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 2000, 41:763-777.
    • (2000) Chemosphere , vol.41 , pp. 763-777
    • Gramatica, P.1    Corradi, M.2    Consonni, V.3
  • 21
    • 85073142962 scopus 로고    scopus 로고
    • Chemometric methods and theoretical molecular descriptors in predictive QSAR modeling of the environmental behavior of organic pollutants
    • Springer, Dordrecht, T. Puzyn, J. Leszczynski, M.T.D. Cronin (Eds.)
    • Gramatica P. Chemometric methods and theoretical molecular descriptors in predictive QSAR modeling of the environmental behavior of organic pollutants. Recent Advances in QSAR Studies 2010, 327-366. Springer, Dordrecht. T. Puzyn, J. Leszczynski, M.T.D. Cronin (Eds.).
    • (2010) Recent Advances in QSAR Studies , pp. 327-366
    • Gramatica, P.1
  • 22
    • 80655131546 scopus 로고    scopus 로고
    • QSAR studies on dihydro-alkoxy-benzyl-oxopyrimidines (DABOs) derivatives, a new series of potent, broad-spectrum non-nucleoside reverse transcriptase inhibitors
    • Gupta L., Patel A., Karthikeyan C., Trivedi P. QSAR studies on dihydro-alkoxy-benzyl-oxopyrimidines (DABOs) derivatives, a new series of potent, broad-spectrum non-nucleoside reverse transcriptase inhibitors. J. Curr. Pharm. Res. 2010, 1:19-25.
    • (2010) J. Curr. Pharm. Res. , vol.1 , pp. 19-25
    • Gupta, L.1    Patel, A.2    Karthikeyan, C.3    Trivedi, P.4
  • 23
    • 14144255231 scopus 로고    scopus 로고
    • Prediction of the bioconcentration factor of PCBs in fish using the molecular connectivity index and fragment constant models
    • Hu H., Xu F., Li B., Cao J., Dawson R., Tao S. Prediction of the bioconcentration factor of PCBs in fish using the molecular connectivity index and fragment constant models. Water Environ. Res. 2005, 77:87-97.
    • (2005) Water Environ. Res. , vol.77 , pp. 87-97
    • Hu, H.1    Xu, F.2    Li, B.3    Cao, J.4    Dawson, R.5    Tao, S.6
  • 24
    • 33746217562 scopus 로고    scopus 로고
    • Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR)
    • Ivanciuc T., Ivanciuc O., Klein D.J. Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR). Mol. Diversity 2006, 10:133-145.
    • (2006) Mol. Diversity , vol.10 , pp. 133-145
    • Ivanciuc, T.1    Ivanciuc, O.2    Klein, D.J.3
  • 25
    • 77954985770 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship modeling of bioconcentration factors of polychlorinated biphenyls
    • Katritzky A.R., Radzvilovits M., Slavov S., Kasemets K., Tämm K., Karelson M. Quantitative structure-activity relationship modeling of bioconcentration factors of polychlorinated biphenyls. Toxicol. Environ. Chem. 2010, 92:1233-1247.
    • (2010) Toxicol. Environ. Chem. , vol.92 , pp. 1233-1247
    • Katritzky, A.R.1    Radzvilovits, M.2    Slavov, S.3    Kasemets, K.4    Tämm, K.5    Karelson, M.6
  • 26
    • 0001840433 scopus 로고    scopus 로고
    • The electrotopological state: structure modeling for QSAR and database analysis
    • Gordon and Breach, London, J. Devillers, A.T. Balaban (Eds.)
    • Kier L.B., Hall L.H. The electrotopological state: structure modeling for QSAR and database analysis. Topological Indices and Related Descriptors in QSAR and QSPR 1999, 491-562. Gordon and Breach, London. J. Devillers, A.T. Balaban (Eds.).
    • (1999) Topological Indices and Related Descriptors in QSAR and QSPR , pp. 491-562
    • Kier, L.B.1    Hall, L.H.2
  • 27
    • 70349162515 scopus 로고    scopus 로고
    • Basic validation prOECDures for regression models in QSAR and QSPR studies: theory and applications
    • Kiralj R., Ferreira M.M.C. Basic validation prOECDures for regression models in QSAR and QSPR studies: theory and applications. J. Braz. Chem. Soc. 2009, 20:770-787.
    • (2009) J. Braz. Chem. Soc. , vol.20 , pp. 770-787
    • Kiralj, R.1    Ferreira, M.M.C.2
  • 29
    • 76349125782 scopus 로고    scopus 로고
    • Persistent organic pollutants (PCDD/Fs, dioxin-like PCBs, marker PCBs, and PBDEs) in health supplements on the Spanish market
    • Martí M., Ortiz X., Gasser M., Martí R., Montaña M.J., Díaz-Ferrero J. Persistent organic pollutants (PCDD/Fs, dioxin-like PCBs, marker PCBs, and PBDEs) in health supplements on the Spanish market. Chemosphere 2010, 2010:1256-1262.
    • (2010) Chemosphere , vol.2010 , pp. 1256-1262
    • Martí, M.1    Ortiz, X.2    Gasser, M.3    Martí, R.4    Montaña, M.J.5    Díaz-Ferrero, J.6
  • 31
    • 34247340197 scopus 로고    scopus 로고
    • Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening
    • Melagraki G., Afantitis A., Sarimveis H., Koutentis P.A., Markopolus J., Igglessi-Markopoulou O. Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening. J. Comput.-Aided Mol. Des. 2007, 21:251-267.
    • (2007) J. Comput.-Aided Mol. Des. , vol.21 , pp. 251-267
    • Melagraki, G.1    Afantitis, A.2    Sarimveis, H.3    Koutentis, P.A.4    Markopolus, J.5    Igglessi-Markopoulou, O.6
  • 32
    • 78649332944 scopus 로고    scopus 로고
    • Multivariate SAR/QSAR of 3-aryl-4-hydroxyquinolin-2(1H)-one derivatives as type I fatty acid synthase (FAS) inhibitors
    • Melo E.B. Multivariate SAR/QSAR of 3-aryl-4-hydroxyquinolin-2(1H)-one derivatives as type I fatty acid synthase (FAS) inhibitors. Eur. J. Med. Chem. 2010, 45:5817-5826.
    • (2010) Eur. J. Med. Chem. , vol.45 , pp. 5817-5826
    • Melo, E.B.1
  • 33
    • 67650462278 scopus 로고    scopus 로고
    • Multivariate QSAR study of 4,5-dihydroxypyrimidine carboxamides as HIV-1 integrase inhibitors
    • Melo E.B., Ferreira M.M.C. Multivariate QSAR study of 4,5-dihydroxypyrimidine carboxamides as HIV-1 integrase inhibitors. Eur. J. Med. Chem. 2009, 44:3577-3583.
    • (2009) Eur. J. Med. Chem. , vol.44 , pp. 3577-3583
    • Melo, E.B.1    Ferreira, M.M.C.2
  • 34
    • 77956183045 scopus 로고    scopus 로고
    • Multivariate QSAR study on the antimutagenic activity of flavonoids against 3-NFA on Salmonella typhimurium TA98
    • Melo E.B., Martins J.P.A., Jorge T.C.M., Friozi M.C., Ferreira M.M.C. Multivariate QSAR study on the antimutagenic activity of flavonoids against 3-NFA on Salmonella typhimurium TA98. Eur. J. Med. Chem. 2010, 45:4562-4596.
    • (2010) Eur. J. Med. Chem. , vol.45 , pp. 4562-4596
    • Melo, E.B.1    Martins, J.P.A.2    Jorge, T.C.M.3    Friozi, M.C.4    Ferreira, M.M.C.5
  • 35
    • 0033037957 scopus 로고    scopus 로고
    • Improved method for estimating bioconcentration/bioaccumulation factor from octanol/water partition coefficient
    • Meylan W.M., Howard P.H., Boethling R.S., Aronson D., Printup H., Gouchie S. Improved method for estimating bioconcentration/bioaccumulation factor from octanol/water partition coefficient. Environ. Toxicol. Chem. 1999, 18:664-672.
    • (1999) Environ. Toxicol. Chem. , vol.18 , pp. 664-672
    • Meylan, W.M.1    Howard, P.H.2    Boethling, R.S.3    Aronson, D.4    Printup, H.5    Gouchie, S.6
  • 36
    • 79952975126 scopus 로고    scopus 로고
    • Chemometric QSAR modeling and in silico design of antioxidant NO donor phenols
    • Mitra I., Saha A., Roy K. Chemometric QSAR modeling and in silico design of antioxidant NO donor phenols. Sci. Pharm. 2011, 79:31-57.
    • (2011) Sci. Pharm. , vol.79 , pp. 31-57
    • Mitra, I.1    Saha, A.2    Roy, K.3
  • 38
    • 38849168166 scopus 로고    scopus 로고
    • Review of literature-based quantitative structure-activity relationship models for bioconcentration
    • Pavan M., Netzeva T.I., Worth A.P. Review of literature-based quantitative structure-activity relationship models for bioconcentration. QSAR Comb. Sci. 2008, 27:21-31.
    • (2008) QSAR Comb. Sci. , vol.27 , pp. 21-31
    • Pavan, M.1    Netzeva, T.I.2    Worth, A.P.3
  • 39
    • 0347116122 scopus 로고    scopus 로고
    • The legacy of the polychlorinated biphenyls (PCBs)
    • Penteado J.C.P., Vaz J.M. The legacy of the polychlorinated biphenyls (PCBs). Quim. Nova 2001, 24:390-398.
    • (2001) Quim. Nova , vol.24 , pp. 390-398
    • Penteado, J.C.P.1    Vaz, J.M.2
  • 40
    • 80655131543 scopus 로고    scopus 로고
    • Pirouette 4 Infometrix Inc., Bothel, USA.
    • Pirouette 4, 2007. Infometrix Inc., Bothel, USA.
    • (2007)
  • 41
    • 77149125293 scopus 로고    scopus 로고
    • QSPR model for bioconcentration factors of nonpolar organic compounds using molecular electronegativity distance vector descriptors
    • Qin L., Liu S., Liu H. QSPR model for bioconcentration factors of nonpolar organic compounds using molecular electronegativity distance vector descriptors. Mol. Diversity 2010, 14:67-80.
    • (2010) Mol. Diversity , vol.14 , pp. 67-80
    • Qin, L.1    Liu, S.2    Liu, H.3
  • 42
    • 38349052371 scopus 로고    scopus 로고
    • A new predictive model for the bioconcentration factors of polychlorinated biphenyls (PCBs) based on the molecular electronegativity distance vector (MEDV)
    • Qin L., Liu S., Liu H., Ge H. A new predictive model for the bioconcentration factors of polychlorinated biphenyls (PCBs) based on the molecular electronegativity distance vector (MEDV). Chemosphere 2008, 70:1577-1587.
    • (2008) Chemosphere , vol.70 , pp. 1577-1587
    • Qin, L.1    Liu, S.2    Liu, H.3    Ge, H.4
  • 43
    • 84858441960 scopus 로고    scopus 로고
    • QSAR Modeling, Theoretical and Applied Chemometrics Laboratory, State University of Campinas, Campinas, Brazil.
    • QSAR Modeling, 2010. Theoretical and Applied Chemometrics Laboratory, State University of Campinas, Campinas, Brazil. http://lqta.iqm.unicamp.br.
    • (2010)
  • 44
    • 4644371537 scopus 로고    scopus 로고
    • The public health implications of polychlorinated biphenyls (PCBs) in the environment
    • Ross G. The public health implications of polychlorinated biphenyls (PCBs) in the environment. Ecotoxicol. Environ. Saf. 2004, 59:275-291.
    • (2004) Ecotoxicol. Environ. Saf. , vol.59 , pp. 275-291
    • Ross, G.1
  • 45
    • 58549092572 scopus 로고    scopus 로고
    • Sorting variables by using informative vectors as a strategy for feature selection in multivariate regression
    • Teófilo R.F., Martins J.P., Ferreira M.M.C. Sorting variables by using informative vectors as a strategy for feature selection in multivariate regression. J. Chemometr. 2009, 23:32-48.
    • (2009) J. Chemometr. , vol.23 , pp. 32-48
    • Teófilo, R.F.1    Martins, J.P.2    Ferreira, M.M.C.3
  • 46
    • 27344449477 scopus 로고    scopus 로고
    • Computing chemistry on the web
    • Tetko I.V. Computing chemistry on the web. Drug Discovery Today 2005, 10:1497-1500.
    • (2005) Drug Discovery Today , vol.10 , pp. 1497-1500
    • Tetko, I.V.1
  • 49
    • 64249141039 scopus 로고    scopus 로고
    • QSPR modeling bioconcentration factor (BCF) by balance of correlations
    • Toropov A.A., Toropova A.P., Benfenati E. QSPR modeling bioconcentration factor (BCF) by balance of correlations. Eur. J. Med. Chem. 2009, 44:2544-2551.
    • (2009) Eur. J. Med. Chem. , vol.44 , pp. 2544-2551
    • Toropov, A.A.1    Toropova, A.P.2    Benfenati, E.3
  • 50
    • 0038724207 scopus 로고    scopus 로고
    • The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models
    • Tropsha A., Gramatica P., Gombar V.K. The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models. QSAR Comb. Sci. 2003, 22:69-77.
    • (2003) QSAR Comb. Sci. , vol.22 , pp. 69-77
    • Tropsha, A.1    Gramatica, P.2    Gombar, V.K.3
  • 52
    • 69249229903 scopus 로고    scopus 로고
    • QSAR analysis for quinoxaline-2-carboxylate 1,4-di-N-oxides as anti-mycobacterial agents
    • Vicente E., Duchowicz P.R., Castro E.A., Monge A. QSAR analysis for quinoxaline-2-carboxylate 1,4-di-N-oxides as anti-mycobacterial agents. J. Mol. Graphics Model. 2009, 28:28-36.
    • (2009) J. Mol. Graphics Model. , vol.28 , pp. 28-36
    • Vicente, E.1    Duchowicz, P.R.2    Castro, E.A.3    Monge, A.4
  • 53
    • 77957681833 scopus 로고    scopus 로고
    • Using electrotopological state indices to model the depuration rates of polychlorinated biphenyls in mussels of Elliptio complanata
    • Wang L., Liu X., Shan Z., Shi L. Using electrotopological state indices to model the depuration rates of polychlorinated biphenyls in mussels of Elliptio complanata. J. Environ. Sci. 2010, 22:1544-1550.
    • (2010) J. Environ. Sci. , vol.22 , pp. 1544-1550
    • Wang, L.1    Liu, X.2    Shan, Z.3    Shi, L.4
  • 54
    • 47349119143 scopus 로고    scopus 로고
    • Estimation of bioconcentration factors using molecular electro-topological state and flexibility
    • Wang Y., Li Y., Ding J., Jiang Z., Chang Y. Estimation of bioconcentration factors using molecular electro-topological state and flexibility. SAR QSAR Environ. Res. 2008, 19:375-395.
    • (2008) SAR QSAR Environ. Res. , vol.19 , pp. 375-395
    • Wang, Y.1    Li, Y.2    Ding, J.3    Jiang, Z.4    Chang, Y.5
  • 55
    • 78651383682 scopus 로고    scopus 로고
    • Persistent organic pollutants and landfills - a review of past experiences and future challenges
    • Weber R., Watson A., Forter M., Oliaei F. Persistent organic pollutants and landfills - a review of past experiences and future challenges. Waste Manage. Res. 2011, 29:107-121.
    • (2011) Waste Manage. Res. , vol.29 , pp. 107-121
    • Weber, R.1    Watson, A.2    Forter, M.3    Oliaei, F.4
  • 56
    • 0023965741 scopus 로고
    • SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
    • Weininger D. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules. J. Chem. Inf. Comput. Sci. 1988, 28:31-48.
    • (1988) J. Chem. Inf. Comput. Sci. , vol.28 , pp. 31-48
    • Weininger, D.1
  • 57
    • 0000295654 scopus 로고    scopus 로고
    • PLS for multivariate linear modeling
    • Wiley-VCH, Weinheim, H. van de Waterbeemd (Ed.)
    • Wold S. PLS for multivariate linear modeling. Chemometric Methods in Molecular Design 1998, 195-218. Wiley-VCH, Weinheim. H. van de Waterbeemd (Ed.).
    • (1998) Chemometric Methods in Molecular Design , pp. 195-218
    • Wold, S.1
  • 58
    • 84900531145 scopus 로고    scopus 로고
    • Statistical validation of QSAR results
    • Wiley-VCH, Weinheim, H. Van de Waterbeemd (Ed.)
    • Wold S., Eriksson L. Statistical validation of QSAR results. Chemometric Methods in Molecular Design 1998, 309-318. Wiley-VCH, Weinheim. H. Van de Waterbeemd (Ed.).
    • (1998) Chemometric Methods in Molecular Design , pp. 309-318
    • Wold, S.1    Eriksson, L.2
  • 59
    • 0043172486 scopus 로고    scopus 로고
    • Yusho in Japan
    • Yoshimura T. Yusho in Japan. Ind. Health 2003, 41:139-148.
    • (2003) Ind. Health , vol.41 , pp. 139-148
    • Yoshimura, T.1
  • 60
    • 55249098367 scopus 로고    scopus 로고
    • A new hybrid system of QSAR models for predicting bioconcentration factors (BCF)
    • Zhao C., Boriani E., Chana A., Roncaglioni A., Benfenati E. A new hybrid system of QSAR models for predicting bioconcentration factors (BCF). Chemosphere 2008, 73:1701-1707.
    • (2008) Chemosphere , vol.73 , pp. 1701-1707
    • Zhao, C.1    Boriani, E.2    Chana, A.3    Roncaglioni, A.4    Benfenati, E.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.