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Volumn 45, Issue 1, 2006, Pages 24-35

QSARs in ecotoxicological risk assessment

Author keywords

Acute aquatic toxicity; Alternatives; QSARs

Indexed keywords

ANIMAL TESTING REDUCTION; AQUATIC ENVIRONMENT; ARTICLE; COMPUTER PROGRAM; CONCENTRATION (PARAMETERS); CORRELATION ANALYSIS; DATA BASE; ECOTOXICITY; ECOTOXICOLOGY; FISH; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RISK ASSESSMENT; STATISTICAL SIGNIFICANCE;

EID: 33646115183     PISSN: 02732300     EISSN: 10960295     Source Type: Journal    
DOI: 10.1016/j.yrtph.2006.01.012     Document Type: Article
Times cited : (23)

References (42)
  • 1
    • 0029160177 scopus 로고
    • Quantitative structure-activity relationships and ecological risk assessment: an overview of predictive aquatic toxicology research
    • Bradbury S.P. Quantitative structure-activity relationships and ecological risk assessment: an overview of predictive aquatic toxicology research. Toxicol. Lett. 79 (1995) 229-237
    • (1995) Toxicol. Lett. , vol.79 , pp. 229-237
    • Bradbury, S.P.1
  • 2
    • 0026343847 scopus 로고
    • QSAR studies on comparative toxicity in aquatic organisms
    • Cronin M.T., Dearden J.C., and Dobbs A.J. QSAR studies on comparative toxicity in aquatic organisms. Sci. Total Environ. 109-110 (1991) 431-439
    • (1991) Sci. Total Environ. , vol.109-110 , pp. 431-439
    • Cronin, M.T.1    Dearden, J.C.2    Dobbs, A.J.3
  • 3
    • 0035261601 scopus 로고    scopus 로고
    • A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus
    • Devillers J. A general QSAR model for predicting the acute toxicity of pesticides to Lepomis macrochirus. SAR QSAR Environ. Res. 11 (2001) 397-417
    • (2001) SAR QSAR Environ. Res. , vol.11 , pp. 397-417
    • Devillers, J.1
  • 4
    • 0033643880 scopus 로고    scopus 로고
    • A general QSAR model for predicting the acute toxicity of pesticides to Oncorhynchus mykiss
    • Devillers J., and Flatin J. A general QSAR model for predicting the acute toxicity of pesticides to Oncorhynchus mykiss. SAR QSAR Environ. Res. 11 (2000) 25-43
    • (2000) SAR QSAR Environ. Res. , vol.11 , pp. 25-43
    • Devillers, J.1    Flatin, J.2
  • 5
    • 0034951524 scopus 로고    scopus 로고
    • Traditional versus WHIM molecular descriptors in QSAR approaches applied to fish toxicity studies
    • Di Marzio W., Galassi S., Todeschini R., and Consolaro F. Traditional versus WHIM molecular descriptors in QSAR approaches applied to fish toxicity studies. Chemosphere 44 (2001) 401-406
    • (2001) Chemosphere , vol.44 , pp. 401-406
    • Di Marzio, W.1    Galassi, S.2    Todeschini, R.3    Consolaro, F.4
  • 6
    • 1642539133 scopus 로고    scopus 로고
    • Interspecies quantitative structure-activity relationship model for aldehydes: aquatic toxicology
    • Dimitrov S., Koleva Y., Schultz T.W., Walker J.D., and Mekenyan O. Interspecies quantitative structure-activity relationship model for aldehydes: aquatic toxicology. Environ. Toxicol. Chem. 23 (2004) 463-470
    • (2004) Environ. Toxicol. Chem. , vol.23 , pp. 463-470
    • Dimitrov, S.1    Koleva, Y.2    Schultz, T.W.3    Walker, J.D.4    Mekenyan, O.5
  • 8
    • 33646117214 scopus 로고    scopus 로고
    • ECOSAR, US-EPA OPPT Risk Assessment Division, ECOWIN v0.99, April 2004.
  • 9
    • 0032842090 scopus 로고    scopus 로고
    • Prediction of fathead minnow acute toxicity of organic compounds from molecular structure
    • Eldred D.V., Weikel C.L., Jurs P.C., and Kaiser K.L. Prediction of fathead minnow acute toxicity of organic compounds from molecular structure. Chem. Res. Toxicol. 12 (1999) 670-678
    • (1999) Chem. Res. Toxicol. , vol.12 , pp. 670-678
    • Eldred, D.V.1    Weikel, C.L.2    Jurs, P.C.3    Kaiser, K.L.4
  • 10
    • 33646098133 scopus 로고    scopus 로고
    • European Chemicals Bureau, Institute for Health and Consumer Protection, 2003. Technical Guidance Document on Risk Assessment, in support of Commission Directive 93/67/EEC on Risk Assessment for new notified substances, Commission Regulation (EC) No 1488/94 on Risk Assessment for existing substances and Directive 98/8/EC of the European Parliament and of the Council concerning the placing of biocidal products on the market.
  • 11
    • 33646114973 scopus 로고    scopus 로고
    • European Commission 2002. Health and consumer directorate-general, Sanco/3268/2001 rev. 4. Guidance document on aquatic ecotoxicology.
  • 12
    • 33646078079 scopus 로고    scopus 로고
    • European Commission 2003. Proposal for a regulation of the European parliament and of the council concerning the registration, evaluation, authorisation and restriction of chemicals (REACH), establishing a European chemicals agency and amending directive 1999/45/EC and regulation (EC) on persistent organic pollutants-COM (2003) 644 final, Brussels.
  • 14
    • 20444404916 scopus 로고    scopus 로고
    • Assessing the reliability of QSAR model's predictions
    • He L., and Jurs P.C. Assessing the reliability of QSAR model's predictions. J. Mol. Graph. Model. 23 (2005) 503-523
    • (2005) J. Mol. Graph. Model. , vol.23 , pp. 503-523
    • He, L.1    Jurs, P.C.2
  • 15
    • 33749078220 scopus 로고    scopus 로고
    • Hoekzema, C.C., Murk, A., van de Waart, E.J., van der Hoeven, J.C.M., de Roode, D.F., 2006. Alternative approaches can greatly reduce the number of fish used for acute toxicity testing. Accepted by Environ. Toxicol. Chem.
  • 16
    • 33646095966 scopus 로고    scopus 로고
    • Hulzebos, E., Posthumus, R. Traas, T., Hakkert, B., 2005. Regulatory decisions using (Q)SAR under the EU new chemical legislation REACH: fact or fiction? Proceedings from SETAC Europe 15th Annual Meeting, p. 400.
  • 18
    • 27744590591 scopus 로고    scopus 로고
    • QSAR applicability domain estimation by projection of the training set in descriptor space : a review
    • Jaworska J., Nikolova-Jeliazkova N., and Aldenberg T. QSAR applicability domain estimation by projection of the training set in descriptor space : a review. ATLA 33 (2005) 445-459
    • (2005) ATLA , vol.33 , pp. 445-459
    • Jaworska, J.1    Nikolova-Jeliazkova, N.2    Aldenberg, T.3
  • 19
    • 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.B., and Maran U. Theoretical descriptors for the correlation of aquatic toxicity of environmental pollutants by quantitative structure-toxicity relationships. J. Chem. Inf. Comput. Sci. 41 (2001) 1162-1176
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 1162-1176
    • Katritzky, A.R.1    Tatham, D.B.2    Maran, U.3
  • 20
    • 0035754726 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships based on functional and structural characteristics of organic compounds
    • Kulkarni S.A., Raje D.V., and Chakrabarti T. Quantitative structure-activity relationships based on functional and structural characteristics of organic compounds. SAR QSAR Environ. Res. 12 (2001) 565-591
    • (2001) SAR QSAR Environ. Res. , vol.12 , pp. 565-591
    • Kulkarni, S.A.1    Raje, D.V.2    Chakrabarti, T.3
  • 21
    • 0029439157 scopus 로고
    • Experiences with the application of QSAR in the routine of the notification procedure
    • Lange A.W., and Vormann K. Experiences with the application of QSAR in the routine of the notification procedure. SAR QSAR Environ. Res. 3 (1995) 171-177
    • (1995) SAR QSAR Environ. Res. , vol.3 , pp. 171-177
    • Lange, A.W.1    Vormann, K.2
  • 23
    • 84930472365 scopus 로고    scopus 로고
    • Ecotoxicological characterisation and classification of existing chemicals. Examples from the ICCA HPV initiative and comparison with other existing chemicals
    • Licht O., Weyers A., and Nagel R. Ecotoxicological characterisation and classification of existing chemicals. Examples from the ICCA HPV initiative and comparison with other existing chemicals. Environ. Sci. Pollut. Res. Int. 11 (2004) 291-296
    • (2004) Environ. Sci. Pollut. Res. Int. , vol.11 , pp. 291-296
    • Licht, O.1    Weyers, A.2    Nagel, R.3
  • 24
    • 0142057084 scopus 로고    scopus 로고
    • A comparison of model performance for six quantitative structure-activity relationship packages that predict acute toxicity to fish
    • Moore D.R., Breton R.L., and MacDonald D.B. A comparison of model performance for six quantitative structure-activity relationship packages that predict acute toxicity to fish. Environ. Toxicol. Chem. 22 (2003) 1799-1809
    • (2003) Environ. Toxicol. Chem. , vol.22 , pp. 1799-1809
    • Moore, D.R.1    Breton, R.L.2    MacDonald, D.B.3
  • 25
    • 85138902904 scopus 로고    scopus 로고
    • Netzeva, T.I., Worth, A., Aldenberg, T., Benigni, R., Cronin, M.T., 2005., Gramatica, P. Jaworska, J.S., Kahn, S., Klopman, G., Marchant, C.A., Myatt, G., Nikolova-Jeliazkova, N., Patlewicz, G.Y., Perkins, R., Roberts, D., Schultz, T., Stanton, D.W., van de Sandt, J.J., Tong, W., Veith, G., Yang, C., 2005. Current status of methods for defining the applicability domain of (quantitative) structure-activity relationships. The Report and Recommendations of ECVAM Workshop 52. ATLA 33, 152-173.
  • 26
    • 33646113346 scopus 로고    scopus 로고
    • OECD (Organization for Economic Co-operation and Development), 1984. OECD guideline for Testing of Chemicals, guideline No. 201: "Algae, Growth Inhibition Test", Adopted June 7, 1984.
  • 27
    • 33646101441 scopus 로고    scopus 로고
    • OECD (Organization for Economic Co-operation and Development), 2004a. OECD guidelines for Testing of Chemicals, guideline No. 202: "Daphnia sp., Acute Immobilisation Test", Adopted April 13, 2004.
  • 28
    • 33646085495 scopus 로고    scopus 로고
    • OECD (Organization for Economic Co-operation and Development), 1992. The OECD guidelines for Testing of Chemicals, guideline No. 203: "Fish Acute Toxicity Test", Adopted 17 July, 1992.
  • 29
    • 33646107592 scopus 로고    scopus 로고
    • OECD (Organisation for Economic Co-operation and Development), 2004b. OECD Principles for the validation, for regulatory purposes, of (quantitative) structure-activity relationship- models.
  • 30
    • 11144347551 scopus 로고    scopus 로고
    • Ranking of aquatic toxicity of esters modelled by QSAR
    • Papa E., Battaini F., and Gramatica P. Ranking of aquatic toxicity of esters modelled by QSAR. Chemosphere 58 (2005) 559-570
    • (2005) Chemosphere , vol.58 , pp. 559-570
    • Papa, E.1    Battaini, F.2    Gramatica, P.3
  • 31
    • 0033979389 scopus 로고    scopus 로고
    • Application of quantitative structure-activity relationships for assessing the aquatic toxicity of phthalate esters
    • Parkerton T.F., and Konkel W.J. Application of quantitative structure-activity relationships for assessing the aquatic toxicity of phthalate esters. Ecotoxicol. Environ. Saf. 45 (2000) 61-78
    • (2000) Ecotoxicol. Environ. Saf. , vol.45 , pp. 61-78
    • Parkerton, T.F.1    Konkel, W.J.2
  • 32
    • 0036001299 scopus 로고    scopus 로고
    • A framework for prioritizing fragrance materials for aquatic risk assessment
    • Salvito D.T., Senna R.J., and Federle T.W. A framework for prioritizing fragrance materials for aquatic risk assessment. Environ. Toxicol. Chem. 21 (2002) 1301-1308
    • (2002) Environ. Toxicol. Chem. , vol.21 , pp. 1301-1308
    • Salvito, D.T.1    Senna, R.J.2    Federle, T.W.3
  • 33
    • 33646090584 scopus 로고    scopus 로고
    • Salvito, D., 2005. The limitations of commonly used ecotoxicity QSARs-experiments in model validation. Proceedings from SETAC Europe 15th Annual Meeting, p. 395.
  • 35
    • 0037370974 scopus 로고    scopus 로고
    • Essential and desirable characteristics of ecotoxicity quantitative structure-activity relationships
    • Schultz T.W., and Cronin M.T.D. Essential and desirable characteristics of ecotoxicity quantitative structure-activity relationships. Environ. Toxicol. Chem. 22 (2003) 599-607
    • (2003) Environ. Toxicol. Chem. , vol.22 , pp. 599-607
    • Schultz, T.W.1    Cronin, M.T.D.2
  • 36
    • 33646093688 scopus 로고    scopus 로고
    • Silvani, M., Reuschenbach, P., Damman, M., Streicher, N.M., 2005. Validation of QSAR models predicting the toxicity of chemicals to aquatic organisms. Proceedings from SETAC Europe 15th Annual Meeting, p. 395.
  • 38
    • 33646079825 scopus 로고    scopus 로고
    • TOPKAT Version 6.1, Accelrys Inc., 2003.
  • 39
    • 33646087392 scopus 로고    scopus 로고
    • United Nations, 2005. Globally Harmonized system of classification and labeling of chemicals (GHS), first revised edition, New York and Geneva. Annex 9: Guidance on hazards to the aquatic environment, OECD Environment, Health and Safety Publications, Series on Testing and Assessment, No 27, Environment Directorate, Organization for economic Co-operation and Development, April 2001.
  • 40
    • 0026785215 scopus 로고
    • Classifying environmental pollutants. 1: structure-activity relationships for prediction of aquatic toxicity
    • Verhaar H.J.M., van Leeuwen C.J., and Hermens J.L.M. Classifying environmental pollutants. 1: structure-activity relationships for prediction of aquatic toxicity. Chemosphere 25 (1992) 471-491
    • (1992) Chemosphere , vol.25 , pp. 471-491
    • Verhaar, H.J.M.1    van Leeuwen, C.J.2    Hermens, J.L.M.3
  • 41
    • 33646104168 scopus 로고    scopus 로고
    • Verhaar, H.J.M., Mulder, W., Hermens, J.L.M., 1995. QSARs for ecotoxicity. In: Overview of structure-activity relationships for environmental endpoints, Part 1: General outline and procedure. Hermens J.L.M. (ed.), Report prepared within the framework of the project "QSAR for Prediction of Fate and Effects of Chemicals in the Environment", an international project of the Environmental Technologies RTD Programme (DGXII/D-1) of the European Commission under contract number EV5V-CT92-0211.
  • 42
    • 0029445451 scopus 로고
    • U.S.EPA regulatory perspectives on the use of QSAR for new and existing chemical evaluations
    • Zeeman M., Auer C.M., Clements R.G., Nabholz J.V., and Boethling R.S. U.S.EPA regulatory perspectives on the use of QSAR for new and existing chemical evaluations. SAR QSAR Environ. Res. 3 (1995) 179-201
    • (1995) SAR QSAR Environ. Res. , vol.3 , pp. 179-201
    • Zeeman, M.1    Auer, C.M.2    Clements, R.G.3    Nabholz, J.V.4    Boethling, R.S.5


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