메뉴 건너뛰기




Volumn 50, Issue 5, 2007, Pages 587-592

Predicting bioconcentration factor values of organic pollutants based on MEDV descriptors derived QSARs

Author keywords

BCF; MEDV; POPs; QSAR

Indexed keywords

BIOACTIVITY; CONCENTRATION (PROCESS); ELECTRONEGATIVITY; REGRESSION ANALYSIS; STRUCTURE (COMPOSITION);

EID: 34748843391     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11426-007-0113-x     Document Type: Article
Times cited : (5)

References (14)
  • 1
    • 0027899791 scopus 로고
    • Nonlinear Dependence of Fish Bioconcentration on n-Octanol/Water Partition Coefficient
    • 1
    • Bintein S, Devillers J, Karcher W. Nonlinear Dependence of Fish Bioconcentration on n-Octanol/Water Partition Coefficient. SAR QSAR Environ Res, 1993, 1(1): 29-39
    • (1993) SAR QSAR Environ Res , vol.1 , pp. 29-39
    • Bintein, S.1    Devillers, J.2    Karcher, W.3
  • 2
    • 0029760622 scopus 로고    scopus 로고
    • Comparison of BCF Models Based on LogP
    • 6
    • Devillers J, Bintein S, Domine D. Comparison of BCF Models Based on LogP. Chemosphere, 1996, 33(6): 1047-1065
    • (1996) Chemosphere , vol.33 , pp. 1047-1065
    • Devillers, J.1    Bintein, S.2    Domine, D.3
  • 3
    • 0033037957 scopus 로고    scopus 로고
    • Improved Method for Estimating Bioconcentration/Bioaccumulation Factor from Octanol/Water Partition Coefficient
    • 4
    • Meylan W M, Howard P H, Boethling R S, Aronson D, Printup H, Gouichie S. Improved Method for Estimating Bioconcentration/Bioaccumulation Factor from Octanol/Water Partition Coefficient. Environ Toxicol Chem, 1999,18(4): 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    Gouichie, S.6
  • 4
    • 0037709858 scopus 로고    scopus 로고
    • QSAR Modeling of Bioconcentration Factor by theoretical molecular descriptors
    • 3
    • Gramatica P, Papa E. QSAR Modeling of Bioconcentration Factor by theoretical molecular descriptors. QSAR & Comb Sci, 2003, 22(3): 374-385
    • (2003) QSAR & Comb Sci , vol.22 , pp. 374-385
    • Gramatica, P.1    Papa, E.2
  • 5
    • 0033863736 scopus 로고    scopus 로고
    • Estimation of Bioconcentration Factors of Nonionic Organic Compounds in Fish by Molecular Connectivity Indices and Polarity Correction Factors
    • 10
    • Lu X X, Tao S, Hu H, Dawson R W. Estimation of Bioconcentration Factors of Nonionic Organic Compounds in Fish by Molecular Connectivity Indices and Polarity Correction Factors. Chemosphere, 2000, 41(10): 1675-1688
    • (2000) Chemosphere , vol.41 , pp. 1675-1688
    • Lu, X.X.1    Tao, S.2    Hu, H.3    Dawson, R.W.4
  • 6
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
    • 18
    • Cramer R D, Patterson D E, Bunce J D. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins. J Am Chem Soc, 1988, 110(18): 5959-5967
    • (1988) J Am Chem Soc , vol.110 , pp. 5959-5967
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 7
    • 0033022163 scopus 로고    scopus 로고
    • Comparative molecular similarity index analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries
    • 1
    • Klebe G, Abraham U. Comparative molecular similarity index analysis (CoMSIA) to study hydrogen-bonding properties and to score combinatorial libraries. J Comput Aid Mol Des, 1999, 13(1): 1-10
    • (1999) J Comput Aid Mol des , vol.13 , pp. 1-10
    • Klebe, G.1    Abraham, U.2
  • 8
    • 0141872106 scopus 로고    scopus 로고
    • Predicting Inhibition Toxicity of Benzene Derivatives by Molecular Hologram Derived QSARs
    • 3
    • Cui S, Wang X, Liu S, Wang L. Predicting Inhibition Toxicity of Benzene Derivatives by Molecular Hologram Derived QSARs. SAR QSAR Environ Res, 2003, 14(3): 223-231
    • (2003) SAR QSAR Environ Res , vol.14 , pp. 223-231
    • Cui, S.1    Wang, X.2    Liu, S.3    Wang, L.4
  • 9
    • 33751499087 scopus 로고
    • The electrotopological state: Structure information at the atomic level for molecular graph
    • 1
    • Hall L H, Kier L B. The electrotopological state: Structure information at the atomic level for molecular graph. J Chem Inf Comput Sci, 1991, 31(1): 76-83
    • (1991) J Chem Inf Comput Sci , vol.31 , pp. 76-83
    • Hall, L.H.1    Kier, L.B.2
  • 10
    • 0035263421 scopus 로고    scopus 로고
    • QSAR Study of Steroid Benchmark and Dipeptides Based on MEDV-13
    • 2
    • Liu S S, Yin C S, Li Z L, Cai S X. QSAR Study of Steroid Benchmark and Dipeptides Based on MEDV-13. J Chem Inf Comput Sci, 2001, 41(2), 321-329
    • (2001) J Chem Inf Comput Sci , vol.41 , pp. 321-329
    • Liu, S.S.1    Yin, C.S.2    Li, Z.L.3    Cai, S.X.4
  • 11
    • 0036557850 scopus 로고    scopus 로고
    • Combined MEDV-GA-MLR method for QSAR of three panels of steroids, dipeptides, and COX-2 inhibitors
    • 3
    • Liu S S, Yin C S, Wang L S. Combined MEDV-GA-MLR method for QSAR of three panels of steroids, dipeptides, and COX-2 inhibitors. J Chem Inf Comput Sci, 2002, 42(3):749-756
    • (2002) J Chem Inf Comput Sci , vol.42 , pp. 749-756
    • Liu, S.S.1    Yin, C.S.2    Wang, L.S.3
  • 12
    • 0041294606 scopus 로고    scopus 로고
    • QSAR of Cyclooxygenase-2 (COX-2) inhibition by 2,3-diarylcyclopentenones based on MEDV-13
    • 6
    • Liu S S, Liu H L, Shi Y Y, Wang L S. QSAR of Cyclooxygenase-2 (COX-2) inhibition by 2,3-diarylcyclopentenones based on MEDV-13. Int Elec J Mol Des, 2002, 1(6): 310-318
    • (2002) Int Elec J Mol des , vol.1 , pp. 310-318
    • Liu, S.S.1    Liu, H.L.2    Shi, Y.Y.3    Wang, L.S.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.