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Volumn 72, Issue 19, 2009, Pages 1181-1190

Quantitative structure-activity relationship (QSAR) modeling of EC 50 of aquatic toxicities for daphnia magna

Author keywords

[No Author keywords available]

Indexed keywords

BENZALDEHYDE DERIVATIVE; BENZAMIDE DERIVATIVE; BENZOIC ACID DERIVATIVE; CARBOXYLIC ACID DERIVATIVE; CYCLOALKANE; ESTER DERIVATIVE; PHENYL GROUP; SULFONE DERIVATIVE;

EID: 75149138721     PISSN: 15287394     EISSN: 10872620     Source Type: Journal    
DOI: 10.1080/15287390903091863     Document Type: Article
Times cited : (40)

References (35)
  • 1
    • 0001551403 scopus 로고
    • Ecotoxicological testing with Daphnia
    • Baudo, R. 1987. Ecotoxicological testing with Daphnia. Mem. Ist. Ital. Idrobiol. 45:461-482.
    • (1987) Mem. Ist. Ital. Idrobiol. , vol.45 , pp. 461-482
    • Baudo, R.1
  • 2
    • 0033948946 scopus 로고    scopus 로고
    • An approach to calculate the toxicity of simple organic molecules on the basis of QSAR analysis in Hydractinia echinata (hydrozoa, cnidaria)
    • Chicu, S. A., Herrmann, K., and Berking, S. 2000. An approach to calculate the toxicity of simple organic molecules on the basis of QSAR analysis in Hydractinia echinata (hydrozoa, cnidaria). Quant. Struct. Act. Relation. 19:227-236.
    • (2000) Quant. Struct. Act. Relation. , vol.19 , pp. 227-236
    • Chicu, S.A.1    Herrmann, K.2    Berking, S.3
  • 3
    • 27644491739 scopus 로고    scopus 로고
    • University of Florida
    • CODESSA PRO Software. 2002. University of Florida. www.codessa-pro.com.
    • (2002) CODESSA PRO Software.
  • 4
    • 0033838467 scopus 로고    scopus 로고
    • Quantitative structure-toxicity relationships for derivates of benzanilides to Daphnia magna
    • Dai, J., and Wang, L. 2000. Quantitative structure-toxicity relationships for derivates of benzanilides to Daphnia magna. Bull. Environ. Contam. Toxicol. 65:366-374.
    • (2000) Bull. Environ. Contam. Toxicol. , vol.65 , pp. 366-374
    • Dai, J.1    Wang, L.2
  • 7
    • 0043132440 scopus 로고    scopus 로고
    • Methods for reliability, uncertainty assessment, and applicability evaluations of regression based and classification QSARs
    • Eriksson, L., Jaworska, J., Worth, A. P., Cronin, M. T. D., McDowell, R. M., and Gramatica, P. 2003. Methods for reliability, uncertainty assessment, and applicability evaluations of regression based and classification QSARs. Environ. Health Perspect. 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
  • 8
    • 0035075254 scopus 로고    scopus 로고
    • Narcosis and chemical reactivity QSARs for acute fish toxicity
    • Freidig, A., and Hermens, J. 2000. Narcosis and chemical reactivity QSARs for acute fish toxicity. Quant. Struct. Activ. Relation. 19:547-553.
    • (2000) Quant. Struct. Activ. Relation. , vol.19 , pp. 547-553
    • Freidig, A.1    Hermens, J.2
  • 9
    • 0032032811 scopus 로고    scopus 로고
    • The acute toxicity of selected alkylphenols to young and adult Daphnia magna
    • Gerritsen, A., van der Hoeven, N., and Pielaat, A. 1998. The acute toxicity of selected alkylphenols to young and adult Daphnia magna. Ecotoxicol. Environ. Safety 39:227-232.
    • (1998) Ecotoxicol. Environ. Safety , vol.39 , pp. 227-232
    • Gerritsen, A.1    Van Der Hoeven, N.2    Pielaat, A.3
  • 10
    • 0032891183 scopus 로고    scopus 로고
    • Modeling the toxicity of amide herbicides using the electrotopological state
    • Gough, J. D., and Hall, L. H. 1999. Modeling the toxicity of amide herbicides using the electrotopological state. Environ. Toxicol. Chem. 18:1069-1075.
    • (1999) Environ. Toxicol. Chem. , vol.18 , pp. 1069-1075
    • Gough, J.D.1    Hall, L.H.2
  • 11
    • 0040914011 scopus 로고
    • S?r?p Analysis. A method for the correlation of biological activity and chemical structure
    • Hansch, C., and Fujita, T. 1964. s?r?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
  • 12
    • 0029087966 scopus 로고
    • Acute toxicity of alkyl (1-phenylsulfonyl) cycloalkane-carboxylates to Daphnia magna and quantitative structureactivity relationships
    • He, Y., Wang, L., and Liu, Z.1995. Acute toxicity of alkyl (1-phenylsulfonyl) cycloalkane-carboxylates to Daphnia magna and quantitative structureactivity relationships. Chemosphere 31: 2739-2746.
    • (1995) Chemosphere , vol.31 , pp. 2739-2746
    • He, Y.1    Wang, L.2    Liu, Z.3
  • 13
    • 0001447846 scopus 로고
    • The population biology of Daphnia
    • Hebert, P. D. N. 1978. The population biology of Daphnia. Biol. Rev. 53:387-426.
    • (1978) Biol. Rev. , vol.53 , pp. 387-426
    • Hebert, P.D.N.1
  • 14
    • 33646508737 scopus 로고    scopus 로고
    • The aquatic toxicity of anionic surfactants to Daphnia magna-A comparative QSAR study of linear alkylbenzene sulphonates and ester sulphonates
    • Hodges, G., Roberts, D. W., Marshall, S. J., and Dearden, J. C. 2006. The aquatic toxicity of anionic surfactants to Daphnia magna-A comparative QSAR study of linear alkylbenzene sulphonates and ester sulphonates. Chemosphere 63:1443-1450.
    • (2006) Chemosphere , vol.63 , pp. 1443-1450
    • Hodges, G.1    Roberts, D.W.2    Marshall, S.J.3    Dearden, J.C.4
  • 15
    • 75149197080 scopus 로고    scopus 로고
    • Hyperchem, v. 7.5. Hypercube, Inc., Gainesville, FL.
    • Hyperchem, v. 7.5. 2002. Hypercube, Inc., Gainesville, FL. http://www.hyper.com
    • (2002)
  • 16
    • 0032125520 scopus 로고    scopus 로고
    • Quantitative structuretoxicity relationships for benzaldehydes to Daphnia magna
    • Jin, L., Dai, J., Guo, P., Wang, L., and Wei, Z. 1998. Quantitative structuretoxicity relationships for benzaldehydes to Daphnia magna. Chemosphere 37:79-85.
    • (1998) Chemosphere , vol.37 , pp. 79-85
    • Jin, L.1    Dai, J.2    Guo, P.3    Wang, L.4    Wei, Z.5
  • 17
    • 34247101873 scopus 로고    scopus 로고
    • Comparative quantitative structure-activity-activity relationships for toxicity to Tetrahymena pyriformis and Pimephales promelas
    • Kahn, I., Maran, U., Benfenati, E., Netzeva, T. I., Schultz, T. W., and Cronin, M. T. 2007. Comparative quantitative structure-activity-activity relationships for toxicity to Tetrahymena pyriformis and Pimephales promelas. Altern. Lab. Anim. 35:15-24.
    • (2007) Altern. Lab. Anim. , vol.35 , pp. 15-24
    • Kahn, I.1    Maran, U.2    Benfenati, E.3    Netzeva, T.I.4    Schultz, T.W.5    Cronin, M.T.6
  • 18
    • 13844275809 scopus 로고    scopus 로고
    • Acute toxicity of benzoic acids to the crustacean Daphnia magna
    • Kamaya, Y., Fukaya, Y., and Suzuki, K. 2005. Acute toxicity of benzoic acids to the crustacean Daphnia magna. Chemosphere 59:255-261.
    • (2005) Chemosphere , vol.59 , pp. 255-261
    • Kamaya, Y.1    Fukaya, Y.2    Suzuki, K.3
  • 20
    • 0033474376 scopus 로고    scopus 로고
    • QSPR and QSAR models derived using large molecular descriptor spaces. A review of Codessa applications
    • Karelson, M., Maran, U., Wang, Y., and Katritzky, A. R. 1999. QSPR and QSAR models derived using large molecular descriptor spaces. A review of Codessa applications. Collect. Czech. Chem. Commun. 64:1551-15570.
    • (1999) Collect. Czech. Chem. Commun. , vol.64 , pp. 1551-15570
    • Karelson, M.1    Maran, U.2    Wang, Y.3    Katritzky, A.R.4
  • 21
    • 0000087194 scopus 로고    scopus 로고
    • QSPR as a means of predicting and understanding chemical and physical properties in terms of structure
    • Katritzky, A. R., Karelson, M., and Lobanov, V. S. 1997. QSPR as a means of predicting and understanding chemical and physical properties in terms of structure. Pure Appl. Chem. 69:246-248.
    • (1997) Pure Appl. Chem. , vol.69 , pp. 246-248
    • Katritzky, A.R.1    Karelson, M.2    Lobanov, V.S.3
  • 23
    • 0035438392 scopus 로고    scopus 로고
    • Theoretical descriptors for the correlation of aquatic toxicity of environmental pollutants by quantitative structure-toxicity relationships
    • Katritzky, A. R., Tatham, D., and Maran, U., 2001. Theoretical descriptors for the correlation of aquatic toxicity of environmental pollutants by quantitative structure-toxicity relationships. J. Chem. Inf. Comput. Chem. 41: 1162-1176.
    • (2001) J. Chem. Inf. Comput. Chem. , vol.41 , pp. 1162-1176
    • Katritzky, A.R.1    Tatham, D.2    Maran, U.3
  • 24
    • 33644511732 scopus 로고    scopus 로고
    • Correlation between 96-h mortality and 24-h acetylcholinesterase inhibition in three grass shrimp larval life stages Ecotoxicol
    • Key, P. B., and Fulton, M. H. 2006. Correlation between 96-h mortality and 24-h acetylcholinesterase inhibition in three grass shrimp larval life stages Ecotoxicol. Environ. Safety 63:389-392.
    • (2006) Environ. Safety , vol.63 , pp. 389-392
    • Key, P.B.1    Fulton, M.H.2
  • 25
    • 75149140682 scopus 로고
    • Toxicity screening procedures using bacterial systems
    • Liu, D., and Dutka, B. J. 1984. Toxicity screening procedures using bacterial systems. Boca Raton, FL: CRC Press.
    • (1984) Boca Raton, FL: CRC Press
    • Liu, D.1    Dutka, B.J.2
  • 26
    • 0037207643 scopus 로고    scopus 로고
    • Acute toxicity and quantitative structure-activity relationships of a-branched phenylsulfonyl acetates to Daphnia magna
    • Liu, X., Wang, B., Huang, Z., Han, S., and Wang, L. 2003. Acute toxicity and quantitative structure-activity relationships of a-branched phenylsulfonyl acetates to Daphnia magna. Chemosphere 50:403-408.
    • (2003) Chemosphere , vol.50 , pp. 403-408
    • Liu, X.1    Wang, B.2    Huang, Z.3    Han, S.4    Wang, L.5
  • 27
    • 0032709740 scopus 로고    scopus 로고
    • Toxicity of aryl- and benzylhalides to Daphnia magna and classification of their mode of action based on quantitative structure-activity relationship
    • Marchini, S., Passerini, L., Hoglund, M. D., Pino, A., and Nendza, M. 1999. Toxicity of aryl- and benzylhalides to Daphnia magna and classification of their mode of action based on quantitative structure-activity relationship. Environ. Toxicol. Chem. 18:2759-2766.
    • (1999) Environ. Toxicol. Chem. , vol.18 , pp. 2759-2766
    • Marchini, S.1    Passerini, L.2    Hoglund, M.D.3    Pino, A.4    Nendza, M.5
  • 28
    • 11144347551 scopus 로고    scopus 로고
    • Ranking of aquatic toxicity of esters modelled by QSAR
    • Papa, E., Battaini, F., and Gramatica, P. 2005. Ranking of aquatic toxicity of esters modelled by QSAR. Chemosphere 58:559-570.
    • (2005) Chemosphere , vol.58 , pp. 559-570
    • Papa, E.1    Battaini, F.2    Gramatica, P.3
  • 29
    • 42149153772 scopus 로고    scopus 로고
    • ECOSAR model performance with a large test set of industrial chemicals
    • Reuschenbach, P., Silvani, M., Dammann, M., Warnecke, D., and Knacker, T. 2008. ECOSAR model performance with a large test set of industrial chemicals. Chemosphere 71:1986-1995.
    • (2008) Chemosphere , vol.71 , pp. 1986-1995
    • Reuschenbach, P.1    Silvani, M.2    Dammann, M.3    Warnecke, D.4    Knacker, T.5
  • 30
    • 0026717138 scopus 로고
    • Quantitative modelling of environmental fate and impact of commercial chemicals
    • Sabljic, A., and Piver, W. T. 1992. Quantitative modelling of environmental fate and impact of commercial chemicals. Environ. Toxicol. Chem. 11: 961-972.
    • (1992) Environ. Toxicol. Chem. , vol.11 , pp. 961-972
    • Sabljic, A.1    Piver, W.T.2
  • 31
    • 54549093821 scopus 로고    scopus 로고
    • QSAR trout toxicity models on aromatic pesticides
    • Slavov, S., Gini, G., and Benfenati, E. 2008. QSAR trout toxicity models on aromatic pesticides J. Environ. Sci. Health B 43:633-637.
    • (2008) J. Environ. Sci. Health B , vol.43 , pp. 633-637
    • Slavov, S.1    Gini, G.2    Benfenati, E.3
  • 32
    • 0029663950 scopus 로고    scopus 로고
    • Modeling and prediction by using whim descriptors in QSAR studies: Toxicity of heterogeneous chemicals on Daphnia magna
    • Todeschini, R., Vighi, M., Provenzani, R., Finizio, A., and Gramatica, P. 1996. Modeling and prediction by using whim descriptors in QSAR studies: Toxicity of heterogeneous chemicals on Daphnia magna. Chemosphere 32:1527-1545.
    • (1996) Chemosphere , vol.32 , pp. 1527-1545
    • Todeschini, R.1    Vighi, M.2    Provenzani, R.3    Finizio, A.4    Gramatica, P.5
  • 33
    • 0003433914 scopus 로고
    • U.S. Environmental Protection Agency, 4th ed. Washington, DC: U.S. Environmental Protection Agency, EPA/600/4-90/027F, Office of Research and Development
    • U.S. Environmental Protection Agency. 1993. Methods for measuring the acute toxicity of effluents and receiving waters to freshwater and marine organisms, 4th ed. Washington, DC: U.S. Environmental Protection Agency, EPA/600/4-90/027F, Office of Research and Development.
    • (1993) Methods for Measuring the Acute Toxicity of Effluents and Receiving Waters to Freshwater and Marine Organisms
  • 34
    • 0000356254 scopus 로고
    • Calculation schemes for atomic electronegativities in molecular graphs within the framework of Sanderson principle
    • Zefirov, N., Kirpichenok, M., Izmailov, F., and Trofimov, M. 1987. Calculation schemes for atomic electronegativities in molecular graphs within the framework of Sanderson principle. Dokl. Akad. Nauk SSSR 296:883-887.
    • (1987) Dokl. Akad. Nauk SSSR , vol.296 , pp. 883-887
    • Zefirov, N.1    Kirpichenok, M.2    Izmailov, F.3    Trofimov, M.4
  • 35
    • 0032572025 scopus 로고    scopus 로고
    • QSAR study of the toxicity of benzoic acids to Vibrio fischeri, Daphnia magna and carp
    • Zhao, Y. H., Ji, G. D., Cronin, M. T. D., and Dearden, J. C. 1998. QSAR study of the toxicity of benzoic acids to Vibrio fischeri, Daphnia magna and carp. Sci. Total. Environ. 216:205-215.
    • (1998) Sci. Total. Environ. , vol.216 , pp. 205-215
    • Zhao, Y.H.1    Ji, G.D.2    Cronin, M.T.D.3    Dearden, J.C.4


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