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Volumn 45, Issue 6, 2005, Pages 1767-1774

QSAR model for predicting pesticide aquatic toxicity

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; MOLECULAR STRUCTURE; NEURAL NETWORKS; SENSITIVITY ANALYSIS; TOXIC MATERIALS; WATER POLLUTION;

EID: 28944453654     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci0502471     Document Type: Conference Paper
Times cited : (48)

References (38)
  • 1
    • 0029530927 scopus 로고
    • Amounts of pesticides reaching target pests: Environmental impacts and ethics
    • Pimetel, D. Amounts of pesticides reaching target pests: environmental impacts and ethics. J. Agric. Environ. Ethics 1995, 8, 47-84.
    • (1995) J. Agric. Environ. Ethics , vol.8 , pp. 47-84
    • Pimetel, D.1
  • 2
    • 0004044967 scopus 로고
    • World Health Organization-United Nations Environment Programme, Geneva, Switzerland
    • WHO-UNEP. Public Health impact of pesticides used in agriculture; World Health Organization-United Nations Environment Programme, Geneva, Switzerland, 1989.
    • (1989) Public Health Impact of Pesticides Used in Agriculture
  • 4
    • 28944449339 scopus 로고
    • Acute toxicity test for freshwater fish (pesticide assessment guidelines, subvision E-hazard evaluation; Wildlife and aquatic organisms)
    • OPP 72-1
    • OPP 72-1. Acute Toxicity Test for Freshwater Fish (Pesticide Assessment Guidelines, Subvision E-Hazard Evaluation; Wildlife and Aquatic Organisms), EPA report 540/09-82-024, 1982.
    • (1982) EPA Report 540/09-82-024
  • 7
    • 0029133355 scopus 로고
    • Assessing the risk assessment paradigm
    • Omen, G. S. Assessing the Risk Assessment Paradigm. Toxicology 1995, 102, 23-28.
    • (1995) Toxicology , vol.102 , pp. 23-28
    • Omen, G.S.1
  • 9
    • 0037370974 scopus 로고    scopus 로고
    • Essential and desirable characteristics of ecotoxicity quantitative structure-activity relationships
    • Schultz, T. W.; Cronin, M. T. D. Essential and desirable characteristics of ecotoxicity quantitative structure-activity relationships. Environ. Toxicol. Chem. 2003, 22, 599-607.
    • (2003) Environ. Toxicol. Chem. , vol.22 , pp. 599-607
    • Schultz, T.W.1    Cronin, M.T.D.2
  • 10
    • 4544260317 scopus 로고    scopus 로고
    • A protocol to select high quality data sets of ecotoxicity values for pesticides
    • Roncaglioni, A.; Benfenati, E.; Boriani, E.; Clook, M. A Protocol to Select High Quality data sets of Ecotoxicity Values for Pesticides. J. Environ. Sci. Health B 2004, 39, 641-650.
    • (2004) J. Environ. Sci. Health B , vol.39 , pp. 641-650
    • Roncaglioni, A.1    Benfenati, E.2    Boriani, E.3    Clook, M.4
  • 12
    • 28944449929 scopus 로고    scopus 로고
    • http://www.openmolgrid.org/.
  • 13
    • 0000781020 scopus 로고
    • Partial least squares
    • Kotz, S., Johnson, N. L., Eds.; Wiley: New York
    • Herman W. Partial Least Squares. In Encyclopedia of Statistical Sciences; Kotz, S., Johnson, N. L., Eds.; Wiley: New York, 1985; Vol. 6, pp 581-591.
    • (1985) Encyclopedia of Statistical Sciences , vol.6 , pp. 581-591
    • Herman, W.1
  • 14
    • 0024866495 scopus 로고
    • On the approximate realization of continuous mappings by neural networks
    • Funahashi, K. I. On the approximate realization of continuous mappings by neural networks. Neural Networks 1989, 2, 183-192.
    • (1989) Neural Networks , vol.2 , pp. 183-192
    • Funahashi, K.I.1
  • 15
    • 28944442892 scopus 로고    scopus 로고
    • http://www.mathworks.com/access/helpdesk/help/toolbox/nnet/.
  • 17
    • 0028864978 scopus 로고
    • Neural networks with counter-propagation learning strategy used for modelling
    • Zupan, J.; Novic, M.; Gasteiger, J. Neural networks with counter-propagation learning strategy used for modelling. Chemom. Intell. Lab. Syst. 1995, 27, 2, 175-187.
    • (1995) Chemom. Intell. Lab. Syst. , vol.27 , Issue.2 , pp. 175-187
    • Zupan, J.1    Novic, M.2    Gasteiger, J.3
  • 19
    • 0242691110 scopus 로고    scopus 로고
    • ANVAS: Artificial neural variables adaptation system for descriptor selection
    • Mazzatorta, P.; Vračko, M.; Benfenati, E. ANVAS: Artificial Neural Variables Adaptation System for descriptor selection. J. Comput.-Aided Mol. Des. 2003, 17, 335-346.
    • (2003) J. Comput.-aided Mol. Des. , vol.17 , pp. 335-346
    • Mazzatorta, P.1    Vračko, M.2    Benfenati, E.3
  • 20
    • 0015417054 scopus 로고
    • Chance correlation in structure-activity studies using multiple regression analysis
    • Topliss, J. G.; Costello, R. J. Chance Correlation in Structure-Activity Studies Using Multiple Regression Analysis. J. Med. Chem. 1972, 15, 1066-1068.
    • (1972) J. Med. Chem. , vol.15 , pp. 1066-1068
    • Topliss, J.G.1    Costello, R.J.2
  • 21
    • 0018709674 scopus 로고
    • Chance factors in studies of quantitative structure-activity relationships
    • Topliss, J. G.; Edwards, R. P. Chance Factors in Studies of Quantitative Structure-Activity Relationships. J. Med. Chem. 1979, 22, 1238-1244.
    • (1979) J. Med. Chem. , vol.22 , pp. 1238-1244
    • Topliss, J.G.1    Edwards, R.P.2
  • 24
    • 0000081055 scopus 로고    scopus 로고
    • Molecular data set diversity indices and their application to comparison of chemical databases and QSAR analysis
    • Golbraikh, A. Molecular data set Diversity Indices and Their Application to Comparison of Chemical Databases and QSAR Analysis. J. Chem. Inf. Comput. Sci. 2000, 40, 414-425.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 414-425
    • Golbraikh, A.1
  • 25
    • 0014874208 scopus 로고
    • On the parabolic relationship between drug potency and hydrophobicity
    • McFarland, J. W. On the Parabolic Relationship Between Drug Potency and Hydrophobicity. J. Med. Chem. 1970, 13, 1192-1196.
    • (1970) J. Med. Chem. , vol.13 , pp. 1192-1196
    • McFarland, J.W.1
  • 26
    • 0019517032 scopus 로고
    • Quantitative structure-activity relationships in fish toxicity studies Part 1: Relationship for 50 industrial pollutants
    • Könemann, H. Quantitative structure-activity relationships in fish toxicity studies Part 1: Relationship for 50 industrial pollutants. Toxicology 1981, 19, 3, 209-221.
    • (1981) Toxicology , vol.19 , Issue.3 , pp. 209-221
    • Könemann, H.1
  • 27
    • 0030884804 scopus 로고    scopus 로고
    • Validation of Vibrio fisheri acute toxicity data: Mechanism of action-based QSARs for nonpolar narcotics and polar narcotic phenols
    • Cronin, M. T. D.; Schultz, T. W. Validation of Vibrio fisheri acute toxicity data: mechanism of action-based QSARs for nonpolar narcotics and polar narcotic phenols. Sci. Total Environ. 1997, 204, 1, 75-88.
    • (1997) Sci. Total Environ. , vol.204 , Issue.1 , pp. 75-88
    • Cronin, M.T.D.1    Schultz, T.W.2
  • 28
    • 0032145828 scopus 로고    scopus 로고
    • Acute toxicity of polar narcotics to three aquatic species (Daphnia magna, poecilia reticulata and Lymnaea stagnalis) and its relation to hydrophobicity
    • Ramos, E. U.; Vermeer, C.; Vaes, W. H. J.; Hermens, J. L. M. Acute toxicity of polar narcotics to three aquatic species (Daphnia magna, poecilia reticulata and Lymnaea stagnalis) and its relation to hydrophobicity. Chemosphere 1998, 37, 4, 633-650.
    • (1998) Chemosphere , vol.37 , Issue.4 , pp. 633-650
    • Ramos, E.U.1    Vermeer, C.2    Vaes, W.H.J.3    Hermens, J.L.M.4
  • 29
    • 10844220775 scopus 로고    scopus 로고
    • A QSAR for baseline toxicity: Validation, domain of application, and prediction
    • Öberg, T. A QSAR for Baseline Toxicity: Validation, Domain of Application, and Prediction. Chem. Res. Toxicol. 2004, 17, 12, 1630-1637.
    • (2004) Chem. Res. Toxicol. , vol.17 , Issue.12 , pp. 1630-1637
    • Öberg, T.1
  • 30
    • 0026340858 scopus 로고
    • Outliers: Their origin and use in the classification of molecular mechanisms of toxicity
    • Lipnick, R. L. Outliers: their origin and use in the classification of molecular mechanisms of toxicity. Sci. Total Environ. 1991, 109-110, 131-153.
    • (1991) Sci. Total Environ. , vol.109-110 , pp. 131-153
    • Lipnick, R.L.1
  • 31
  • 33
    • 0034784220 scopus 로고    scopus 로고
    • Molecular connectivity: Intermolecular accessibility and encounter simulation
    • Hall, L. H.; Kier, L. B. Molecular connectivity: intermolecular accessibility and encounter simulation. J. Mol. Graphics Modell. 2001, 20, 76-83.
    • (2001) J. Mol. Graphics Modell. , vol.20 , pp. 76-83
    • Hall, L.H.1    Kier, L.B.2
  • 34
    • 0027943145 scopus 로고
    • Comparing the predictive accuracy of models using a simple randomization test
    • Van der Voet, H. Comparing the predictive accuracy of models using a simple randomization test. Chemom. Intell. Lab. Syst. 1994, 25, 313-323.
    • (1994) Chemom. Intell. Lab. Syst. , vol.25 , pp. 313-323
    • Van Der Voet, H.1
  • 37
    • 28944444834 scopus 로고    scopus 로고
    • Review of methods for QSAR applicability domain estimation by the training set
    • in press
    • Jaworska, J.; Nikolova-Jeliazkova, N.; Aldenberg, T. Review of methods for QSAR applicability domain estimation by the training set. ATLA 2005, in press.
    • (2005) ATLA
    • Jaworska, J.1    Nikolova-Jeliazkova, N.2    Aldenberg, T.3
  • 38
    • 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.; 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, 1351-1375.
    • (2003) Environ. Health Perspect. , vol.111 , pp. 1351-1375
    • Eriksson, L.1    Jaworska, J.2    Worth, A.3    Cronin, M.T.D.4    McDowell, R.M.5    Gramatica, P.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.