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Volumn 37, Issue 11, 2009, Pages 850-857

Prediction of the bioconcentration factor of organic compounds in fish

Author keywords

Bioconcentration factor; Ecotoxicology; Fish; QSAR; Quantum chemical descriptors

Indexed keywords

BIOACCUMULATION; CHEMOSYNTHESIS; CORRELATION; ECOTOXICOLOGY; FISH; NUMERICAL MODEL; ORGANIC COMPOUND; PREDICTION; SOFTWARE;

EID: 70449969484     PISSN: 18630650     EISSN: None     Source Type: Journal    
DOI: 10.1002/clen.200900170     Document Type: Article
Times cited : (13)

References (27)
  • 4
    • 0004445714 scopus 로고
    • Ministry of Environment and Energy for Ontario, Ontario, Canada
    • Candidate Substances List for Bans or Phase-outs, Ministry of Environment and Energy for Ontario, Ontario, Canada 1992.
    • (1992) Candidate Substances List for Bans or Phase-outs
  • 9
    • 73449143145 scopus 로고    scopus 로고
    • Comparative QSTR Study of Saturated Alcohols Based on Topological Constitutional, Geometrical, and Getawey Descriptors
    • in press, DOI: 10.1007/s00044-009-9166-z
    • A. K. R. Khan, V. K. Sahu, R. K. Singh, S. A. Khan, Comparative QSTR Study of Saturated Alcohols Based on Topological Constitutional, Geometrical, and Getawey Descriptors, Med. Chem. Res., in press. DOI: 10.1007/s00044-009-9166-z.
    • Med. Chem. Res.
    • Khan, A.K.R.1    Sahu, V.K.2    Singh, R.K.3    Khan, S.A.4
  • 10
    • 0028949465 scopus 로고
    • QSAR in Toxicology. 1. Prediction of Aquatic Toxicity
    • M. T. D. Cronin, J. C. Dearden, QSAR in Toxicology. 1. Prediction of Aquatic Toxicity, Quant. Struct. Act. Relat. 1995, 14 (1), 1.
    • (1995) Quant. Struct. Act. Relat , vol.14 , Issue.1 , pp. 1
    • Cronin, M.T.D.1    Dearden, J.C.2
  • 12
  • 13
    • 0037709858 scopus 로고    scopus 로고
    • QSAR Modeling of Bioconcentration Factor by Theoretical Molecular Descriptors
    • P. Gramatica, E. Papa, QSAR Modeling of Bioconcentration Factor by Theoretical Molecular Descriptors, QSAR Comb. Sci. 2003, 22 (3), 374.
    • (2003) QSAR Comb. Sci. , vol.22 , Issue.3 , pp. 374
    • Gramatica, P.1    Papa, E.2
  • 14
    • 0001728908 scopus 로고    scopus 로고
    • Quantum-chemical Descriptors in QSAR/ QSPR Studies
    • M. Karelson, V. S. Lobanov, Quantum-chemical Descriptors in QSAR/ QSPR Studies, J. Am. Chem. Soc. 1996, 96 (3), 1027.
    • (1996) J. Am. Chem. Soc. , vol.96 , Issue.3 , pp. 1027
    • Karelson, M.1    Lobanov, V.S.2
  • 15
    • 84988129057 scopus 로고
    • Optimization of Parameters for Semiempirical Methods, I. Method
    • J. J. P. Stewart, Optimization of Parameters for Semiempirical Methods, I. Method, J. Comput. Chem. 1989, 10 (2), 209.
    • (1989) J. Comput. Chem. , vol.10 , Issue.2 , pp. 209
    • Stewart, J.J.P.1
  • 16
    • 0000313347 scopus 로고
    • Ground States of Molecules. 45. MNDO Results for Molecules Containing Beryllium
    • M. J. S. Dewar, H. S. Rzepa, Ground States of Molecules. 45. MNDO Results for Molecules Containing Beryllium, J. Am. Chem. Soc. 1978, 100 (3),777.
    • (1978) J. Am. Chem. Soc. , vol.100 , Issue.3 , pp. 777
    • Dewar, M.J.S.1    Rzepa, H.S.2
  • 17
    • 23144463498 scopus 로고    scopus 로고
    • QSAR Study of Estrogen with the Help of PM3-based Descriptors
    • F. A. Pasha, H. K. Srivastava, P. P. Singh, QSAR Study of Estrogen with the Help of PM3-based Descriptors, Int. J. Quantum Chem. 2005, 104, 87.
    • (2005) Int. J. Quantum Chem. , vol.104 , pp. 87
    • Pasha, F.A.1    Srivastava, H.K.2    Singh, P.P.3
  • 18
    • 70449963145 scopus 로고    scopus 로고
    • Hydrophobic, Topological, and Steric Parameter Based QSAR Study on Peptidic HIV-protease Inhibitors
    • P. P. Singh, V. K. Sahu, P. Singh, R. K. Singh, Hydrophobic, Topological, and Steric Parameter Based QSAR Study on Peptidic HIV-protease Inhibitors, Org. Chem.: Ind. J. 2008, 4 (4), 284.
    • (2008) Org. Chem.: Ind. J. , vol.4 , Issue.4 , pp. 284
    • Singh, P.P.1    Sahu, V.K.2    Singh, P.3    Singh, R.K.4
  • 19
    • 77955536693 scopus 로고    scopus 로고
    • PM3 Based QSAR Study of b-Carbolines Using Electronegativity and Absolute Hardness as Reactive Parameters
    • P. P. Singh, A. K. Soni, V. K. Sahu, PM3 Based QSAR Study of b-Carbolines Using Electronegativity and Absolute Hardness as Reactive Parameters, Org. Chem.: Ind. J. 2009, 5 (1), 55.
    • (2009) Org. Chem.: Ind. J , vol.5 , Issue.1 , pp. 55
    • Singh, P.P.1    Soni, A.K.2    Sahu, V.K.3
  • 20
    • 67049155254 scopus 로고
    • Drug-receptor Interation-based Quantitative Structure-Activity Relationship of Tetrahydroimidazodiazepinone
    • V. K. Sahu, A. K. R. Khan, R. K. Singh, P. P. Singh, Drug-receptor Interation-based Quantitative Structure-Activity Relationship of Tetrahydroimidazodiazepinone, Int. J. Quantum Chem. 2009, 109 (6), 1243.
    • (1243) Int. J. Quantum Chem. , vol.109 , Issue.6 , pp. 2009
    • Sahu, V.K.1    Khan, A.K.R.2    Singh, R.K.3    Singh, P.P.4
  • 21
    • 0001648985 scopus 로고
    • Charge Transfer Complexes and Frontier Orbital Energies in QSAR: A Congeneric Series of Electron Acceptors
    • B. W. Clare, Charge Transfer Complexes and Frontier Orbital Energies in QSAR: A Congeneric Series of Electron Acceptors, J. Mol. Struct. 1995,337 (2),139.
    • (1995) J. Mol. Struct. , vol.337 , Issue.2 , pp. 139
    • Clare, B.W.1
  • 22
    • 70450063489 scopus 로고    scopus 로고
    • Stability Index Based Quantitative Structure-activity Relationship Study of b-Carbolines
    • in press
    • A. K. Soni, V. K. Sahu, P. P. Singh, Stability Index Based Quantitative Structure-activity Relationship Study of b-Carbolines, Asian J. Chem., in press.
    • Asian J. Chem.
    • Soni, A.K.1    Sahu, V.K.2    Singh, P.P.3
  • 23
    • 0342415826 scopus 로고    scopus 로고
    • Activation Hardness: New Index for Describing the Orientation of Electrophilic Aromatic Substitution
    • J. W. McIver Jr., A. Komornicki, Activation Hardness: New Index for Describing the Orientation of Electrophilic Aromatic Substitution, J. Am. Chem. Soc. 1972, 94 (8), 2625.
    • (2625) J. Am. Chem. Soc. , vol.94 , Issue.8 , pp. 1972
    • McIver Jr, J.W.1    Komornicki, A.2
  • 24
    • 0343626600 scopus 로고
    • A New Electroaffinity Scale; Together with Data on Valence States and on Valence Ionization Potentials and Electron Affinities
    • R. S. Mulliken, A New Electroaffinity Scale; Together with Data on Valence States and on Valence Ionization Potentials and Electron Affinities, J. Chem. Phys. 1934, 2 (11), 782.
    • (1934) J. Chem. Phys. , vol.2 , Issue.11 , pp. 782
    • Mulliken, R.S.1
  • 25
    • 0004053611 scopus 로고    scopus 로고
    • 3rd ed., John Wiley & Sons, New York
    • D. Voet, J. G. Voet, Biochemistry, 3rd ed., John Wiley & Sons, New York 2004, p. 531.
    • (2004) Biochemistry , pp. 531
    • Voet, D.1    Voet, J.G.2
  • 26
    • 0027423502 scopus 로고
    • Interfacing Statistics, Quantum Chemistry, and Molecular Modeling
    • G. L. Olson et al., Interfacing Statistics, Quantum Chemistry, and Molecular Modeling, J. Med. Chem. 1993, 36 (21), 3039.
    • (1993) J. Med. Chem. , vol.36 , Issue.21 , pp. 3039
    • Olson, G.L.1
  • 27
    • 67749113767 scopus 로고    scopus 로고
    • Hydrophobic, Polar and Hydrogen Bonding Based Drug-receptor Interaction of Tetrahydroimidazobenzodiazepinones
    • V. K. Sahu, A. K. R. Khan, R. K. Singh, P. P. Singh, Hydrophobic, Polar and Hydrogen Bonding Based Drug-receptor Interaction of Tetrahydroimidazobenzodiazepinones, Am. J. Immunol. 2008, 4 (3), 33.
    • (2008) Am. J. Immunol. , vol.4 , Issue.3 , pp. 33
    • Sahu, V.K.1    Khan, A.K.R.2    Singh, R.K.3    Singh, P.P.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.