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Volumn 6, Issue 1, 2011, Pages 25-34

Network-QSAR with reaction poset quantitative superstructure-activity relationships (QSSAR) for PCB chromatographic properties

Author keywords

Chromatographic retention time; Hasse diagram; Network QSAR; Partially ordered set (poset); Polychlorinated biphenyls (PCBs); Quantitative structure activity relationship (QSAR); Quantitative superstructure activity relationships (QSSARs); Reaction network

Indexed keywords

COMPLEX NETWORKS; FORECASTING; ORGANIC POLLUTANTS; SET THEORY; SUBSTITUTION REACTIONS; TOPOLOGY;

EID: 79953907914     PISSN: 15748936     EISSN: None     Source Type: Journal    
DOI: 10.2174/157489311795222310     Document Type: Article
Times cited : (25)

References (83)
  • 2
    • 79953871578 scopus 로고    scopus 로고
    • My journey through structure: The structure of my journey
    • Kier LB. My journey through structure: The structure of my journey. Internet Electron J Mol Des 2006; 5: 181-91.
    • (2006) Internet Electron J Mol Des , vol.5 , pp. 181-191
    • Kier, L.B.1
  • 4
    • 58949099062 scopus 로고    scopus 로고
    • My life-long journey in mathematical chemistry
    • Bonchev D. My life-long journey in mathematical chemistry. Internet Electron J Mol Des 2005; 4: 434-90.
    • (2005) Internet Electron J Mol Des , vol.4 , pp. 434-490
    • Bonchev, D.1
  • 5
    • 9944252656 scopus 로고    scopus 로고
    • Quantitative structure-retention relationship study of gas chromatographic retention indices for halogenated compounds
    • Ivanciuc T, Ivanciuc O. Quantitative structure-retention relationship study of gas chromatographic retention indices for halogenated compounds. Internet Electron J Mol Des 2002; 1: 94-107.
    • (2002) Internet Electron J Mol Des , vol.1 , pp. 94-107
    • Ivanciuc, T.1    Ivanciuc, O.2
  • 6
    • 17444372479 scopus 로고    scopus 로고
    • Prediction of intestinal epithelial transport of drug in (Caco-2) cell culture from molecular structure using in silico approaches during early drug discovery
    • Ponce YM, Pérez MAC, Zaldivar VR, Sanz MB, Mota DS, Torrens F. Prediction of intestinal epithelial transport of drug in (Caco-2) cell culture from molecular structure using in silico approaches during early drug discovery. Internet Electron J Mol Des 2005; 4: 124-50.
    • (2005) Internet Electron J Mol Des , vol.4 , pp. 124-150
    • Ponce, Y.M.1    Pérez, M.A.C.2    Zaldivar, V.R.3    Sanz, M.B.4    Mota, D.S.5    Torrens, F.6
  • 7
    • 66849094234 scopus 로고    scopus 로고
    • Drug design with machine learning
    • In: Meyers RA, Ed., Springer-Verlag: Berlin
    • Ivanciuc O. Drug design with machine learning. In: Meyers RA, Ed., Encyclopedia of Complexity and Systems Science. Springer-Verlag: Berlin 2009; pp. 2159-96.
    • (2009) Encyclopedia of Complexity and Systems Science , pp. 2159-2196
    • Ivanciuc, O.1
  • 8
    • 66849094234 scopus 로고    scopus 로고
    • Drug design with artificial intelligence methods
    • In: Meyers RA, Ed. Springer-Verlag: Berlin
    • Ivanciuc O. Drug design with artificial intelligence methods. In: Meyers RA, Ed. Encyclopedia of Complexity and Systems Science. Springer-Verlag: Berlin, 2009; pp. 2113-39.
    • (2009) Encyclopedia of Complexity and Systems Science , pp. 2113-2139
    • Ivanciuc, O.1
  • 10
    • 39049100511 scopus 로고    scopus 로고
    • Unified QSAR and networkbased computational chemistry approach to antimicrobials, Part 1: Multispecies activity models for antifungals
    • González-Díaz H, Prado-Prado FJ. Unified QSAR and networkbased computational chemistry approach to antimicrobials, Part 1: Multispecies activity models for antifungals. J Comput Chem 2008; 29: 656-67.
    • (2008) J Comput Chem , vol.29 , pp. 656-667
    • González-Díaz, H.1    Prado-Prado, F.J.2
  • 11
    • 66849094234 scopus 로고    scopus 로고
    • Drug design with artificial neural networks
    • In: Meyers RA, ed., Springer-Verlag: Berlin
    • Ivanciuc O. Drug design with artificial neural networks. In: Meyers RA, ed., Encyclopedia of Complexity and Systems Science. Springer-Verlag: Berlin, 2009; pp. 2139-59.
    • (2009) Encyclopedia of Complexity and Systems Science , pp. 2139-2159
    • Ivanciuc, O.1
  • 12
    • 34848824629 scopus 로고    scopus 로고
    • Applications of support vector machines in chemistry
    • In: Lipkowitz KB, Cundari TR, Eds., Wiley-VCH: Weinheim
    • Ivanciuc O. Applications of support vector machines in chemistry. In: Lipkowitz KB, Cundari TR, Eds. Reviews in Computational Chemistry. Wiley-VCH: Weinheim 2007; pp. 291-400.
    • (2007) Reviews in Computational Chemistry , pp. 291-400
    • Ivanciuc, O.1
  • 13
    • 4043055740 scopus 로고    scopus 로고
    • Support vector machine identification of the aquatic toxicity mechanism of organic compounds
    • Ivanciuc O. Support vector machine identification of the aquatic toxicity mechanism of organic compounds. Internet Electron J Mol Des 2002; 1: 157-72.
    • (2002) Internet Electron J Mol Des , vol.1 , pp. 157-172
    • Ivanciuc, O.1
  • 14
    • 0011961397 scopus 로고    scopus 로고
    • Artificial neural networks applications. Part 9. MolNet prediction of alkane boiling points
    • Ivanciuc O. Artificial neural networks applications. Part 9. MolNet prediction of alkane boiling points. Rev Roum Chim 1998; 43: 885-94.
    • (1998) Rev Roum Chim , vol.43 , pp. 885-894
    • Ivanciuc, O.1
  • 15
    • 0032992438 scopus 로고    scopus 로고
    • The neural network MolNet prediction of alkane enthalpies
    • Ivanciuc O. The neural network MolNet prediction of alkane enthalpies. Anal Chim Acta 1999; 384: 271-84.
    • (1999) Anal Chim Acta , vol.384 , pp. 271-284
    • Ivanciuc, O.1
  • 16
    • 67249095008 scopus 로고    scopus 로고
    • Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors
    • Viña D, Uriarte E, Orallo F, González-Díaz H. Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors. Mol Pharm 2009; 6: 825-35.
    • (2009) Mol Pharm , vol.6 , pp. 825-835
    • Viña, D.1    Uriarte, E.2    Orallo, F.3    González-Díaz, H.4
  • 17
    • 58749107670 scopus 로고    scopus 로고
    • Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks
    • Prado-Prado FJ, de la Vega OM, Uriarte E, Ubeira FM, Chou K-C, González-Díaz H. Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks. Bioorg Med Chem 2009; 17: 569-75.
    • (2009) Bioorg Med Chem , vol.17 , pp. 569-575
    • Prado-Prado, F.J.1    de la Vega, O.M.2    Uriarte, E.3    Ubeira, F.M.4    Chou, K.-C.5    González-Díaz, H.6
  • 18
    • 58149187912 scopus 로고    scopus 로고
    • Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices
    • Perez-Bello A, Munteanu CR, Ubeira FM, de Magalhães AL, Uriarte E, González-Díaz H. Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices. J Theor Biol 2009; 256: 458-66.
    • (2009) J Theor Biol , vol.256 , pp. 458-466
    • Perez-Bello, A.1    Munteanu, C.R.2    Ubeira, F.M.3    de Magalhães, A.L.4    Uriarte, E.5    González-Díaz, H.6
  • 19
    • 60749111710 scopus 로고    scopus 로고
    • Multitarget QPDR classification model for human breast and colon cancer-related proteins using star graph topological indices
    • Munteanu CR, Magalhães AL, Uriarte E, González-Díaz H. Multitarget QPDR classification model for human breast and colon cancer-related proteins using star graph topological indices. J Theor Biol 2009; 257: 303-11.
    • (2009) J Theor Biol , vol.257 , pp. 303-311
    • Munteanu, C.R.1    Magalhães, A.L.2    Uriarte, E.3    González-Díaz, H.4
  • 22
    • 34248139010 scopus 로고    scopus 로고
    • Posetic cluster expansion for substitution-reaction networks and application to methylated cyclobutanes
    • Ivanciuc T, Klein DJ, Ivanciuc O. Posetic cluster expansion for substitution-reaction networks and application to methylated cyclobutanes. J Math Chem 2007; 41: 355-79.
    • (2007) J Math Chem , vol.41 , pp. 355-379
    • Ivanciuc, T.1    Klein, D.J.2    Ivanciuc, O.3
  • 23
    • 1842740102 scopus 로고    scopus 로고
    • Parameter-free structure-property correlation via progressive reaction posets for substituted benzenes
    • Ivanciuc T, Klein DJ. Parameter-free structure-property correlation via progressive reaction posets for substituted benzenes. J Chem Inf Comput Sci 2004; 44: 610-17.
    • (2004) J Chem Inf Comput Sci , vol.44 , pp. 610-617
    • Ivanciuc, T.1    Klein, D.J.2
  • 24
    • 23844470694 scopus 로고    scopus 로고
    • Posetic quantitative superstructure/activity relationships (QSSARs) for chlorobenzenes
    • Ivanciuc T, Ivanciuc O, Klein DJ. Posetic quantitative superstructure/activity relationships (QSSARs) for chlorobenzenes. J Chem Inf Model 2005; 45: 870-879.
    • (2005) J Chem Inf Model , vol.45 , pp. 870-879
    • Ivanciuc, T.1    Ivanciuc, O.2    Klein, D.J.3
  • 25
    • 33749629726 scopus 로고    scopus 로고
    • Prediction of environmental properties for chlorophenols with posetic quantitative superstructure/ property relationships (QSSPR)
    • Ivanciuc T, Ivanciuc O, Klein DJ. Prediction of environmental properties for chlorophenols with posetic quantitative superstructure/ property relationships (QSSPR). Int J Mol Sci 2006; 7: 358-74.
    • (2006) Int J Mol Sci , vol.7 , pp. 358-374
    • Ivanciuc, T.1    Ivanciuc, O.2    Klein, D.J.3
  • 26
    • 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 DJ. Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR). Mol Divers 2006; 10: 133-45.
    • (2006) Mol Divers , vol.10 , pp. 133-145
    • Ivanciuc, T.1    Ivanciuc, O.2    Klein, D.J.3
  • 27
    • 0031279757 scopus 로고    scopus 로고
    • Position paper of the american council on science and health: Public health concerns about environmental polychlorinated biphenyls (PCBs)
    • Danse IR, Jaeger RJ, Kava R, et al. Position paper of the american council on science and health: public health concerns about environmental polychlorinated biphenyls (PCBs). Ecotox Environ Safe 1997; 38: 71-84.
    • (1997) Ecotox Environ Safe , vol.38 , pp. 71-84
    • Danse, I.R.1    Jaeger, R.J.2    Kava, R.3
  • 28
    • 0026576654 scopus 로고
    • Polychlorinated biphenyls in the environment
    • Lang V. Polychlorinated biphenyls in the environment. J Chromatogr 1992; 595: 1-43.
    • (1992) J Chromatogr , vol.595 , pp. 1-43
    • Lang, V.1
  • 29
    • 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. Ecotox Environ Safe 2004; 59: 275-91.
    • (2004) Ecotox Environ Safe , vol.59 , pp. 275-291
    • Ross, G.1
  • 30
    • 0023160838 scopus 로고
    • Human health effects of polychlorinated biphenyls (PCBs) and polybrominated biphenyls (PBBs)
    • Kimbrough RD. Human health effects of polychlorinated biphenyls (PCBs) and polybrominated biphenyls (PBBs). Annu Rev Pharmacol Toxicol 1987; 27: 87-111.
    • (1987) Annu Rev Pharmacol Toxicol , vol.27 , pp. 87-111
    • Kimbrough, R.D.1
  • 32
    • 1842829097 scopus 로고    scopus 로고
    • Risk for human health of some POPs due to fish from Lake Iseo
    • Binelli A, Provini A. Risk for human health of some POPs due to fish from Lake Iseo. Ecotox Environ Safe 2004; 58: 139-45.
    • (2004) Ecotox Environ Safe , vol.58 , pp. 139-145
    • Binelli, A.1    Provini, A.2
  • 33
    • 0035117022 scopus 로고    scopus 로고
    • PCBs and their putative effects on polecat (Mustela putorius) populations in Central Europe
    • Engelhart A, Behnisch P, Hagenmaier H, Apfelbach R. PCBs and their putative effects on polecat (Mustela putorius) populations in Central Europe. Ecotox Environ Safe 2001; 48: 178-82.
    • (2001) Ecotox Environ Safe , vol.48 , pp. 178-182
    • Engelhart, A.1    Behnisch, P.2    Hagenmaier, H.3    Apfelbach, R.4
  • 34
    • 0033032173 scopus 로고    scopus 로고
    • Effects of polychlorinated biphenyls on thyroid hormones and liver type I monodeiodinase in the chick embryo
    • Gould JC, Cooper KR, Scanes CG. Effects of polychlorinated biphenyls on thyroid hormones and liver type I monodeiodinase in the chick embryo. Ecotox Environ Safe 1999; 43: 195-203.
    • (1999) Ecotox Environ Safe , vol.43 , pp. 195-203
    • Gould, J.C.1    Cooper, K.R.2    Scanes, C.G.3
  • 35
    • 0029894894 scopus 로고    scopus 로고
    • Developmental neurotoxicity of PCBs in humans: What do we know and where do we go from here?
    • Schantz SL. Developmental neurotoxicity of PCBs in humans: What do we know and where do we go from here? Neurotoxicol Teratol 1996; 18: 217-27.
    • (1996) Neurotoxicol Teratol , vol.18 , pp. 217-227
    • Schantz, S.L.1
  • 36
    • 0031172737 scopus 로고    scopus 로고
    • Using structural information to create physiologically based pharmacokinetic models for all polychlorinated biphenyls. I. Tissue:Blood partition coefficients
    • Parham FM, Kohn MC, Matthews HB, DeRosa C, Portier CJ. Using structural information to create physiologically based pharmacokinetic models for all polychlorinated biphenyls. I. Tissue:blood partition coefficients. Toxicol Appl Pharmacol 1997; 144: 340-7.
    • (1997) Toxicol Appl Pharmacol , vol.144 , pp. 340-347
    • Parham, F.M.1    Kohn, M.C.2    Matthews, H.B.3    DeRosa, C.4    Portier, C.J.5
  • 37
    • 0036128708 scopus 로고    scopus 로고
    • Human biomonitoring of polychlorinated biphenyls and polychlorinated dibenzodioxins and dibenzofuranes in teachers working in a PCBcontaminated school
    • Schwenk M, Gabrio T, Päpke O, Wallenhorst T. Human biomonitoring of polychlorinated biphenyls and polychlorinated dibenzodioxins and dibenzofuranes in teachers working in a PCBcontaminated school. Chemosphere 2002; 47: 229-33.
    • (2002) Chemosphere , vol.47 , pp. 229-233
    • Schwenk, M.1    Gabrio, T.2    Päpke, O.3    Wallenhorst, T.4
  • 38
    • 0028283084 scopus 로고
    • Toxic PCB congeners and organochlorine pesticides in Italian human milk
    • Larsen BR, Turrio-Baldassarri L, Nilsson T, et al. Toxic PCB congeners and organochlorine pesticides in Italian human milk. Ecotox Environ Safe 1994; 28: 1-13.
    • (1994) Ecotox Environ Safe , vol.28 , pp. 1-13
    • Larsen, B.R.1    Turrio-Baldassarri, L.2    Nilsson, T.3
  • 39
    • 8444253259 scopus 로고    scopus 로고
    • Levels and profiles of PCBs and OCPs in marine benthic species from the Belgian North Sea and the Western Scheldt Estuary
    • Voorspoels S, Covaci A, Maervoet J, De Meester I, Schepens P. Levels and profiles of PCBs and OCPs in marine benthic species from the Belgian North Sea and the Western Scheldt Estuary. Mar Pollut Bull 2004; 49: 393-404.
    • (2004) Mar Pollut Bull , vol.49 , pp. 393-404
    • Voorspoels, S.1    Covaci, A.2    Maervoet, J.3    de Meester, I.4    Schepens, P.5
  • 40
    • 1642347692 scopus 로고    scopus 로고
    • Pesticides and PCBs in sediments and fish from the Salton Sea, California, USA
    • Sapozhnikova Y, Bawardi O, Schlenk D. Pesticides and PCBs in sediments and fish from the Salton Sea, California, USA. Chemosphere 2004; 55: 797-809.
    • (2004) Chemosphere , vol.55 , pp. 797-809
    • Sapozhnikova, Y.1    Bawardi, O.2    Schlenk, D.3
  • 41
    • 0742324398 scopus 로고    scopus 로고
    • Comparison of seven indicator PCBs and three coplanar PCBs in beef, pork, and chicken fat
    • Kim MK, Kim SY, Yun SJ, et al. Comparison of seven indicator PCBs and three coplanar PCBs in beef, pork, and chicken fat. Chemosphere 2004; 54: 1533-8.
    • (2004) Chemosphere , vol.54 , pp. 1533-1538
    • Kim, M.K.1    Kim, S.Y.2    Yun, S.J.3
  • 42
    • 0036126950 scopus 로고    scopus 로고
    • Comparability of world-wide analytical data of PCDDs, PCDFs and non-ortho PCBs in samples of chicken, butter and salmon
    • Lindström G, Haug LS, Nicolaysen T, Dybing E. Comparability of world-wide analytical data of PCDDs, PCDFs and non-ortho PCBs in samples of chicken, butter and salmon. Chemosphere 2002; 47: 139-46.
    • (2002) Chemosphere , vol.47 , pp. 139-146
    • Lindström, G.1    Haug, L.S.2    Nicolaysen, T.3    Dybing, E.4
  • 43
    • 0021840702 scopus 로고
    • Polychlorinated biphenyls: Congenerspecific analysis of a commercial mixture and a human milk extract
    • Safe S, Safe L, Mullin M. Polychlorinated biphenyls: congenerspecific analysis of a commercial mixture and a human milk extract. J Agric Food Chem 1985; 33: 24-29.
    • (1985) J Agric Food Chem , vol.33 , pp. 24-29
    • Safe, S.1    Safe, L.2    Mullin, M.3
  • 44
    • 25144504985 scopus 로고    scopus 로고
    • A collaborative study of 209 PCB congeners and 6 Aroclors on 20 different HRGC columns. 1. Retention and coelution database
    • Frame GM. A collaborative study of 209 PCB congeners and 6 Aroclors on 20 different HRGC columns. 1. Retention and coelution database. Fresenius J Anal Chem 1997; 357: 701-13.
    • (1997) Fresenius J Anal Chem , vol.357 , pp. 701-713
    • Frame, G.M.1
  • 45
    • 0003070693 scopus 로고
    • Structural identification of polychlorinated biphenyls in commercial mixtures by gas-liquid chromatography, nuclear magnetic resonance and mass spectrometry
    • Sissons D, Welti D. Structural identification of polychlorinated biphenyls in commercial mixtures by gas-liquid chromatography, nuclear magnetic resonance and mass spectrometry. J Chromatogr 1971; 60: 15-32.
    • (1971) J Chromatogr , vol.60 , pp. 15-32
    • Sissons, D.1    Welti, D.2
  • 46
    • 2542420808 scopus 로고    scopus 로고
    • Improved separation of the 209 polychlorinated biphenyl congeners using comprehensive twodimensional gas chromatography-time-of-flight mass spectrometry
    • Focant JF, Sjödin A, Patterson DG, Jr. Improved separation of the 209 polychlorinated biphenyl congeners using comprehensive twodimensional gas chromatography-time-of-flight mass spectrometry. J Chromatogr A 2004; 1040: 227-38.
    • (2004) J Chromatogr A , vol.1040 , pp. 227-238
    • Focant, J.F.1    Sjödin, A.2    Patterson Jr., D.G.3
  • 47
    • 0142226982 scopus 로고    scopus 로고
    • Comprehensive twodimensional gas chromatography of the 209 polychlorinated biphenyls
    • Harju M, Danielsson C, Haglund P. Comprehensive twodimensional gas chromatography of the 209 polychlorinated biphenyls. J Chromatogr A 2003; 1019: 111-26.
    • (2003) J Chromatogr A , vol.1019 , pp. 111-126
    • Harju, M.1    Danielsson, C.2    Haglund, P.3
  • 48
    • 18844435422 scopus 로고    scopus 로고
    • Application of a retention database to the identification of individual polychlorinated biphenyl congeners in Aroclors mixture using selected polychlorinated biphenyls as a reference series
    • Lulek J, Opielewicz M, Szyrwińska K, Milanowski B. Application of a retention database to the identification of individual polychlorinated biphenyl congeners in Aroclors mixture using selected polychlorinated biphenyls as a reference series. Anal Chim Acta 2005; 540: 25-31.
    • (2005) Anal Chim Acta , vol.540 , pp. 25-31
    • Lulek, J.1    Opielewicz, M.2    Szyrwińska, K.3    Milanowski, B.4
  • 49
    • 8844250086 scopus 로고    scopus 로고
    • Evaluation of four capillary columns for the analysis of organochlorine pesticides, polychlorinated biphenyls, and polybrominated diphenyl ethers in human serum for epidemiologic studies
    • Rogers E, Petreas M, Park JS, Zhao GM, Charles MJ. Evaluation of four capillary columns for the analysis of organochlorine pesticides, polychlorinated biphenyls, and polybrominated diphenyl ethers in human serum for epidemiologic studies. J Chromatogr B 2004; 813: 269-85.
    • (2004) J Chromatogr B , vol.813 , pp. 269-285
    • Rogers, E.1    Petreas, M.2    Park, J.S.3    Zhao, G.M.4    Charles, M.J.5
  • 51
    • 21844523502 scopus 로고
    • Similarity and dissimilarity in posets
    • Klein DJ. Similarity and dissimilarity in posets. J Math Chem 1995; 18: 321-48.
    • (1995) J Math Chem , vol.18 , pp. 321-348
    • Klein, D.J.1
  • 52
    • 0008767361 scopus 로고    scopus 로고
    • Prolegomenon on partial orderings in chemistry
    • Klein DJ. Prolegomenon on partial orderings in chemistry. MATCH 2000; 42: 7-21.
    • (2000) MATCH , vol.42 , pp. 7-21
    • Klein, D.J.1
  • 53
    • 2942730363 scopus 로고    scopus 로고
    • A theoretical concept to rank environmentally significant chemicals
    • Brüggemann R, Bartel HG. A theoretical concept to rank environmentally significant chemicals. J Chem Inf Comput Sci 1999; 39: 211-7.
    • (1999) J Chem Inf Comput Sci , vol.39 , pp. 211-217
    • Brüggemann, R.1    Bartel, H.G.2
  • 54
    • 0028330856 scopus 로고
    • An algebraic/graphical tool to compare ecosystems with respect to their pollution-the German river "Elbe" as an example. I: Hasse-diagrams
    • Brüggemann R, Münzer B, Halfon E. An algebraic/graphical tool to compare ecosystems with respect to their pollution-the German river "Elbe" as an example. I: Hasse-diagrams. Chemosphere 1994; 28: 863-72.
    • (1994) Chemosphere , vol.28 , pp. 863-872
    • Brüggemann, R.1    Münzer, B.2    Halfon, E.3
  • 55
    • 0028347640 scopus 로고
    • An algebraic/graphical tool to compare ecosystems with respect to their pollution. II: Comparative regional analysis
    • Münzer B, Brüggemann R, Halfon E. An algebraic/graphical tool to compare ecosystems with respect to their pollution. II: Comparative regional analysis. Chemosphere 1994; 28: 873-879.
    • (1994) Chemosphere , vol.28 , pp. 873-879
    • Münzer, B.1    Brüggemann, R.2    Halfon, E.3
  • 56
    • 0028976820 scopus 로고
    • Applying Hasse diagram technique for the evaluation of toxicological fish tests
    • Brüggemann R, Schwaiger J, Negele RD. Applying Hasse diagram technique for the evaluation of toxicological fish tests. Chemosphere 1995; 30: 1767-80.
    • (1995) Chemosphere , vol.30 , pp. 1767-1780
    • Brüggemann, R.1    Schwaiger, J.2    Negele, R.D.3
  • 57
    • 0036708524 scopus 로고    scopus 로고
    • A comparison of partial order technique with three methods of multicriteria analysis for ranking of chemical substances
    • Lerche D, Brüggemann R, Sørensen P, Carlsen L, Nielsen OJ. A comparison of partial order technique with three methods of multicriteria analysis for ranking of chemical substances. J Chem Inf Comput Sci 2002; 42: 1086-98.
    • (2002) J Chem Inf Comput Sci , vol.42 , pp. 1086-1098
    • Lerche, D.1    Brüggemann, R.2    Sørensen, P.3    Carlsen, L.4    Nielsen, O.J.5
  • 61
    • 0022819986 scopus 로고
    • On ranking chemicals for environmental hazard
    • Halfon E, Reggiani MG. On ranking chemicals for environmental hazard. Environ Sci Technol 1986; 20: 1173-9.
    • (1986) Environ Sci Technol , vol.20 , pp. 1173-1179
    • Halfon, E.1    Reggiani, M.G.2
  • 62
    • 0036827206 scopus 로고    scopus 로고
    • Comparison of the combined monitoring-based and modellingbased priority setting scheme with partial order theory and random linear extensions for ranking of chemical substances
    • Lerche D, Sørensen PB, Larsen HS, Carlsen L, Nielsen OJ. Comparison of the combined monitoring-based and modellingbased priority setting scheme with partial order theory and random linear extensions for ranking of chemical substances. Chemosphere 2002; 49: 637-49.
    • (2002) Chemosphere , vol.49 , pp. 637-649
    • Lerche, D.1    Sørensen, P.B.2    Larsen, H.S.3    Carlsen, L.4    Nielsen, O.J.5
  • 63
    • 0141969380 scopus 로고    scopus 로고
    • Evaluation of the ranking probabilities for partial orders based on random linear extensions
    • Lerche D, Sørensen PB. Evaluation of the ranking probabilities for partial orders based on random linear extensions. Chemosphere 2003; 53: 981-92.
    • (2003) Chemosphere , vol.53 , pp. 981-992
    • Lerche, D.1    Sørensen, P.B.2
  • 64
    • 1642544095 scopus 로고    scopus 로고
    • Ranking of chemical substances based on the Japanese Pollutant Release and Transfer Register using partial order theory and random linear extensions
    • Lerche D, Matsuzaki SY, Sørensen PB, Carlsen L, Nielsen OJ. Ranking of chemical substances based on the Japanese Pollutant Release and Transfer Register using partial order theory and random linear extensions. Chemosphere 2004; 55: 1005-25.
    • (2004) Chemosphere , vol.55 , pp. 1005-1025
    • Lerche, D.1    Matsuzaki, S.Y.2    Sørensen, P.B.3    Carlsen, L.4    Nielsen, O.J.5
  • 65
    • 0035084533 scopus 로고    scopus 로고
    • Partial order ranking-based QSAR's: Estimation of solubilities and octanol-water partitioning
    • Carlsen L, Sørensen PB, Thomsen M. Partial order ranking-based QSAR's: estimation of solubilities and octanol-water partitioning. Chemosphere 2001; 43: 295-302.
    • (2001) Chemosphere , vol.43 , pp. 295-302
    • Carlsen, L.1    Sørensen, P.B.2    Thomsen, M.3
  • 66
    • 0036982841 scopus 로고    scopus 로고
    • QSARs for identifying and prioritizing substances with persistence and bioconcentration potential
    • Walker JD, Carlsen L. QSARs for identifying and prioritizing substances with persistence and bioconcentration potential. SAR QSAR Environ Res 2002; 13: 713-25.
    • (2002) SAR QSAR Environ Res , vol.13 , pp. 713-725
    • Walker, J.D.1    Carlsen, L.2
  • 67
    • 0034058457 scopus 로고    scopus 로고
    • The influence on partial order ranking from input parameter uncertainty-Definition of a robustness parameter
    • Sørensen PB, Mogensen BB, Carlsen L, Thomsen M. The influence on partial order ranking from input parameter uncertainty-Definition of a robustness parameter. Chemosphere 2000; 41: 595-601.
    • (2000) Chemosphere , vol.41 , pp. 595-601
    • Sørensen, P.B.1    Mogensen, B.B.2    Carlsen, L.3    Thomsen, M.4
  • 68
    • 0012007056 scopus 로고
    • Cluster expansion of the Hückel molecular energy for acyclics: Applications to pi resonance theory
    • Schmalz TG, Živković T, Klein DJ. Cluster expansion of the Hückel molecular energy for acyclics: Applications to pi resonance theory. Math Chem Comp 1987; 54: 173-90.
    • (1987) Math Chem Comp , vol.54 , pp. 173-190
    • Schmalz, T.G.1    Živković, T.2    Klein, D.J.3
  • 70
    • 12544255935 scopus 로고    scopus 로고
    • Splinoid interpolation on finite posets
    • Došlić T, Klein DJ. Splinoid interpolation on finite posets. J Comput Appl Math 2005; 177: 175-85.
    • (2005) J Comput Appl Math , vol.177 , pp. 175-185
    • Došlić, T.1    Klein, D.J.2
  • 71
    • 84987112015 scopus 로고
    • Chemical graph-theoretic cluster expansions
    • Klein DJ. Chemical graph-theoretic cluster expansions. Int J Quant Chem 1986: 153-71.
    • (1986) Int J Quant Chem , pp. 153-171
    • Klein, D.J.1
  • 72
    • 0000716026 scopus 로고    scopus 로고
    • Chemical sub-structural cluster expansions for molecular properties
    • Klein DJ, Schmalz TG, Bytautas L. Chemical sub-structural cluster expansions for molecular properties. SAR QSAR Environ Res 1999; 10: 131-56.
    • (1999) SAR QSAR Environ Res , vol.10 , pp. 131-156
    • Klein, D.J.1    Schmalz, T.G.2    Bytautas, L.3
  • 73
    • 0027495450 scopus 로고
    • Requirement for a standardized nomenclature criterium for PCBs: Computer-assisted assignment of correct congener denomination and numbering
    • Guitart R, Puig P, Gómez-Catalán J. Requirement for a standardized nomenclature criterium for PCBs: Computer-assisted assignment of correct congener denomination and numbering. Chemosphere 1993; 27: 1451-9.
    • (1993) Chemosphere , vol.27 , pp. 1451-1459
    • Guitart, R.1    Puig, P.2    Gómez-Catalán, J.3
  • 74
    • 0001257869 scopus 로고    scopus 로고
    • Characterization of three Aroclor mixtures using a new cyanobiphenyl stationary phase
    • Hillery BR, Girard JE, Schantz MM, Wise SA. Characterization of three Aroclor mixtures using a new cyanobiphenyl stationary phase. Fresenius J Anal Chem 1997; 357: 723-31.
    • (1997) Fresenius J Anal Chem , vol.357 , pp. 723-731
    • Hillery, B.R.1    Girard, J.E.2    Schantz, M.M.3    Wise, S.A.4
  • 76
    • 0028990890 scopus 로고
    • Physical, spectral and chromatographic properties of all 209 individual PCB congeners
    • Bolgar M, Cunningham J, Cooper R, et al. Physical, spectral and chromatographic properties of all 209 individual PCB congeners. Chemosphere 1995; 31: 2687-705.
    • (1995) Chemosphere , vol.31 , pp. 2687-2705
    • Bolgar, M.1    Cunningham, J.2    Cooper, R.3
  • 77
    • 0032513169 scopus 로고    scopus 로고
    • Elution order of the 209 polychlorinated biphenyls on a high-temperature capillary column
    • Vetter W, Luckas B, Buijten J. Elution order of the 209 polychlorinated biphenyls on a high-temperature capillary column. J Chromatogr A 1998; 799: 49-258.
    • (1998) J Chromatogr A , vol.799 , pp. 49-258
    • Vetter, W.1    Luckas, B.2    Buijten, J.3
  • 78
    • 0036046410 scopus 로고    scopus 로고
    • Correct identification of polychlorinated biphenyls in temperatureprogrammed GC with ECD detection
    • Zhang Q, Liang X, Chen J, Lu P, Yediler A, Kettrup A. Correct identification of polychlorinated biphenyls in temperatureprogrammed GC with ECD detection. Anal Bioanal Chem 2002; 374: 93-102.
    • (2002) Anal Bioanal Chem , vol.374 , pp. 93-102
    • Zhang, Q.1    Liang, X.2    Chen, J.3    Lu, P.4    Yediler, A.5    Kettrup, A.6
  • 79
    • 49449127065 scopus 로고
    • Identification of the individual polychlorinated biphenyls in a mixture by gasliquid chromatography
    • Albro PW, Haseman JK, Clemmer TA, Corbett BJ. Identification of the individual polychlorinated biphenyls in a mixture by gasliquid chromatography. J Chromatogr 1977; 136: 147-53.
    • (1977) J Chromatogr , vol.136 , pp. 147-153
    • Albro, P.W.1    Haseman, J.K.2    Clemmer, T.A.3    Corbett, B.J.4
  • 80
    • 0000265240 scopus 로고
    • Identification of PCB congeners by gas-chromatography electron-capture detection employing a quantitative structure-retention model
    • Gankin YV, Gorshteyn AE, Robbat A, Jr. Identification of PCB congeners by gas-chromatography electron-capture detection employing a quantitative structure-retention model. Anal Chem 1995; 67: 2548-55.
    • (1995) Anal Chem , vol.67 , pp. 2548-2555
    • Gankin, Y.V.1    Gorshteyn, A.E.2    Robbat Jr., A.3
  • 81
    • 0024017450 scopus 로고
    • Prediction of gas chromatographic retention characteristic of polychlorinated biphenyls
    • Robbat A, Xyrafas G, Marshall D. Prediction of gas chromatographic retention characteristic of polychlorinated biphenyls. Anal Chem 1988; 60: 982-5.
    • (1988) Anal Chem , vol.60 , pp. 982-985
    • Robbat, A.1    Xyrafas, G.2    Marshall, D.3
  • 82
    • 0029041821 scopus 로고
    • Calculation algorithm for the retention times of polychlorinated biphenyls and the control of its efficiency on a non-polar capillary column
    • Vetter W, Luckas B. Calculation algorithm for the retention times of polychlorinated biphenyls and the control of its efficiency on a non-polar capillary column. J Chromatogr A 1995; 699: 173-82.
    • (1995) J Chromatogr A , vol.699 , pp. 173-182
    • Vetter, W.1    Luckas, B.2
  • 83
    • 0032076270 scopus 로고    scopus 로고
    • 3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physico-chemical properties of polychlorinated biphenyls (PCBs)
    • Gramatica P, Navas N, Todeschini R. 3D-modelling and prediction by WHIM descriptors. Part 9. Chromatographic relative retention time and physico-chemical properties of polychlorinated biphenyls (PCBs). Chemom Intell Lab Syst 1998; 40: 53-63.
    • (1998) Chemom Intell Lab Syst , vol.40 , pp. 53-63
    • Gramatica, P.1    Navas, N.2    Todeschini, R.3


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