메뉴 건너뛰기




Volumn 25, Issue 5, 2014, Pages 393-405

Discriminating toxicant classes by mode of action: 4. Baseline and excess toxicity

Author keywords

fish toxicity; mode of action (MOA) classification; QSAR; reactive substructures; similarity

Indexed keywords

CHEMICAL PROPERTIES; COMPUTATIONAL CHEMISTRY; INDICATORS (CHEMICAL); TOXICITY;

EID: 84902273124     PISSN: 1062936X     EISSN: 1029046X     Source Type: Journal    
DOI: 10.1080/1062936X.2014.907205     Document Type: Article
Times cited : (20)

References (39)
  • 1
    • 0023617784 scopus 로고
    • A QSAR study of the acute toxicity of some industrial organic chemicals to goldfish, narcosis, electrophile and proelectrophile mechanisms
    • R.L. Lipnick, K.R. Watson, and A.K. Strausz, A QSAR study of the acute toxicity of some industrial organic chemicals to goldfish, narcosis, electrophile and proelectrophile mechanisms, Xenobiotica 17 (1987), pp. 1011-1025.
    • (1987) Xenobiotica , vol.17 , pp. 1011-1025
    • Lipnick, R.L.1    Watson, K.R.2    Strausz, A.K.3
  • 2
    • 0026340858 scopus 로고
    • Outliers: Their origin and use in the classification of molecular mechanisms of toxicity
    • R.L. Lipnick, Outliers: Their origin and use in the classification of molecular mechanisms of toxicity, Sci. Tot. Environ. 109/110 (1991), pp. 131-153.
    • (1991) Sci. Tot. Environ. , vol.109 , Issue.110 , pp. 131-153
    • Lipnick, R.L.1
  • 4
    • 0031799568 scopus 로고    scopus 로고
    • A comparative study of molecular similarity, statistical, and neural methods for predicting toxic modes of action
    • S.C. Basak, G.D. Grunwald, G.E. Host, G.J. Niemi, and S.P. Bradbury, A comparative study of molecular similarity, statistical, and neural methods for predicting toxic modes of action, Environ. Toxicol. Chem. 17 (1998), pp. 1056-1064.
    • (1998) Environ. Toxicol. Chem , vol.17 , pp. 1056-1064
    • Basak, S.C.1    Grunwald, G.D.2    Host, G.E.3    Niemi, G.J.4    Bradbury, S.P.5
  • 7
    • 0035069685 scopus 로고    scopus 로고
    • Discriminating toxicant classes by mode of action: 2. Physico-chemical descriptors
    • M. Nendza and M. Müller, Discriminating toxicant classes by mode of action: 2. Physico-chemical descriptors, Quant. Struct.-Act. Relat. 19 (2000), pp. 581-598.
    • (2000) Quant. Struct.-Act. Relat. , vol.19 , pp. 581-598
    • Nendza, M.1    Müller, M.2
  • 9
    • 33646836776 scopus 로고    scopus 로고
    • Discriminating toxicant classes by mode of action: 1. (Eco)toxicity profiles
    • M. Nendza and A. Wenzel, Discriminating toxicant classes by mode of action: 1. (Eco)toxicity profiles, Environ. Sci. Pollut. Res. 13 (2006), pp. 192-203.
    • (2006) Environ. Sci. Pollut. Res. , vol.13 , pp. 192-203
    • Nendza, M.1    Wenzel, A.2
  • 10
    • 33847008768 scopus 로고    scopus 로고
    • Discriminating toxicant classes by mode of action: 3. Substructure indicators
    • M. Nendza and M. Müller, Discriminating toxicant classes by mode of action: 3. Substructure indicators, SAR QSAR Environ. Res. 18 (2007), pp. 155-168.
    • (2007) SAR QSAR Environ. Res. , vol.18 , pp. 155-168
    • Nendza, M.1    Müller, M.2
  • 11
    • 34250825348 scopus 로고    scopus 로고
    • Mode of action-based local QSAR modeling for the prediction of acute toxicity in the fathead minnow
    • H. Yuan, Y.Y. Wang, and Y.Y. Cheng, Mode of action-based local QSAR modeling for the prediction of acute toxicity in the fathead minnow, J. Mol. Graph. Modell. 26 (2007), pp. 327-335.
    • (2007) J. Mol. Graph. Modell. , vol.26 , pp. 327-335
    • Yuan, H.1    Wang, Y.Y.2    Cheng, Y.Y.3
  • 12
    • 44149098225 scopus 로고    scopus 로고
    • The proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity
    • A. Colombo, E. Benfenati, M. Karelson, and U. Maran, The proposal of architecture for chemical splitting to optimize QSAR models for aquatic toxicity, Chemosphere 72 (2008), pp. 772-780.
    • (2008) Chemosphere , vol.72 , pp. 772-780
    • Colombo, A.1    Benfenati, E.2    Karelson, M.3    Maran, U.4
  • 13
    • 50049090548 scopus 로고    scopus 로고
    • Classification of chemicals according to mechanism of aquatic toxicity: An evaluation of the implementation of the Verhaar scheme in Toxtree
    • S.J. Enoch, M. Hewitt, M.T.D. Cronin, S. Azam, and J.C. Madden, Classification of chemicals according to mechanism of aquatic toxicity: An evaluation of the implementation of the Verhaar scheme in Toxtree, Chemosphere 73 (2008), pp. 243-248.
    • (2008) Chemosphere , vol.73 , pp. 243-248
    • Enoch, S.J.1    Hewitt, M.2    Cronin, M.T.D.3    Azam, S.4    Madden, J.C.5
  • 14
    • 77953980284 scopus 로고    scopus 로고
    • DSSTox EPA Fathead Minnow Acute Toxicity Database (EPAFHM): SDF Files and Documentation
    • Updated version: EPAFHM_v4b_617_15Feb2008
    • C.L. Russom, C.R. Williams, T.W. Stewart, A.E. Swank, and A.M. Richard, DSSTox EPA Fathead Minnow Acute Toxicity Database (EPAFHM): SDF Files and Documentation, (2008) Updated version: EPAFHM_v4b_617_15Feb2008.; software available at http://www.epa.gov/ncct/dsstox/sdf_epafhm.html.
    • (2008)
    • Russom, C.L.1    Williams, C.R.2    Stewart, T.W.3    Swank, A.E.4    Richard, A.M.5
  • 15
    • 84855834849 scopus 로고    scopus 로고
    • Structural alerts for the excess toxicity of acrylates, methacrylates and propiolates derived from their short-term and long-term bacterial toxicity
    • U. Blaschke, K. Eismann, A. Böhme, A. Paschke, and G. Schüürmann, Structural alerts for the excess toxicity of acrylates, methacrylates and propiolates derived from their short-term and long-term bacterial toxicity, Chem. Res. Toxicol. 25 (2012), pp. 170-180.
    • (2012) Chem. Res. Toxicol. , vol.25 , pp. 170-180
    • Blaschke, U.1    Eismann, K.2    Böhme, A.3    Paschke, A.4    Schüürmann, G.5
  • 16
    • 0027982119 scopus 로고
    • Reactive substructures in the prediction of aquatic toxicity data
    • H. Jäckel and M. Nendza, Reactive substructures in the prediction of aquatic toxicity data, Aquat. Toxicol. 29 (1994), pp. 305-314.
    • (1994) Aquat. Toxicol. , vol.29 , pp. 305-314
    • Jäckel, H.1    Nendza, M.2
  • 17
    • 79959879974 scopus 로고    scopus 로고
    • Epoxide and thiirane toxicity in vitro with the ciliates Tetrahymena pyriformis: Structural alerts indicating excess toxicity
    • F. Schramm, A. Müller, H. Hammer, A. Paschke, and G. Schüürmann, Epoxide and thiirane toxicity in vitro with the ciliates Tetrahymena pyriformis: Structural alerts indicating excess toxicity, Environ. Sci. Technol. 45 (2011), pp. 5812-5819.
    • (2011) Environ. Sci. Technol. , vol.45 , pp. 5812-5819
    • Schramm, F.1    Müller, A.2    Hammer, H.3    Paschke, A.4    Schüürmann, G.5
  • 18
    • 15344344378 scopus 로고    scopus 로고
    • Structural alerts - A new classification model to discriminate excess toxicity from narcotic effect levels of organic compounds in the acute daphnid assay
    • P.C. von der Ohe, R. Kühne, R.U. Ebert, R. Altenburger, M. Liess, and G. Schüürmann, Structural alerts - A new classification model to discriminate excess toxicity from narcotic effect levels of organic compounds in the acute daphnid assay, Chem. Res. Toxicol. 18 (2005), pp. 536-555.
    • (2005) Chem. Res. Toxicol. , vol.18 , pp. 536-555
    • von der Ohe, P.C.1    Kühne, R.2    Ebert, R.U.3    Altenburger, R.4    Liess, M.5    Schüürmann, G.6
  • 19
    • 0026785215 scopus 로고
    • Classifying environmental pollutants. 1: Structure-activity relationships for prediction of aquatic toxicity
    • H.J.M. Verhaar, C.J. van Leeuwen, and J.L.M. Hermens, Classifying environmental pollutants. 1: Structure-activity relationships for prediction of aquatic toxicity, Chemosphere 25 (1992), pp. 471-491.
    • (1992) Chemosphere , vol.25 , pp. 471-491
    • Verhaar, H.J.M.1    van Leeuwen, C.J.2    Hermens, J.L.M.3
  • 20
    • 0033951115 scopus 로고    scopus 로고
    • Classifying environmental pollutants: 3. External validation of the classification system
    • H.J.M. Verhaar, J. Solbé, J. Speksnijder, C.J. van Leeuwen, and J.L.M. Hermens, Classifying environmental pollutants: 3. External validation of the classification system, Chemosphere, 40 (2000), pp. 875-883.
    • (2000) Chemosphere , vol.40 , pp. 875-883
    • Verhaar, H.J.M.1    Solbé, J.2    Speksnijder, J.3    van Leeuwen, C.J.4    Hermens, J.L.M.5
  • 21
    • 9644274036 scopus 로고    scopus 로고
    • Comparison of different classification methods applied to a mode of toxic action data set
    • S. Spycher, M. Nendza, and J. Gasteiger, Comparison of different classification methods applied to a mode of toxic action data set, Quant. Struct.-Act. Relat. 23 (2004), pp. 779-791.
    • (2004) Quant. Struct.-Act. Relat. , vol.23 , pp. 779-791
    • Spycher, S.1    Nendza, M.2    Gasteiger, J.3
  • 22
    • 0030981036 scopus 로고    scopus 로고
    • Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (Pimephales promelas)
    • C.L. Russom, S.P. Bradbury, S.J. Broderius, D.E. Hammermeister, and R.A. Drummond, Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (Pimephales promelas), Environ. Toxicol. Chem. 16 (1997), pp. 948-967.
    • (1997) Environ. Toxicol. Chem. , vol.16 , pp. 948-967
    • Russom, C.L.1    Bradbury, S.P.2    Broderius, S.J.3    Hammermeister, D.E.4    Drummond, R.A.5
  • 23
    • 0019517032 scopus 로고
    • Quantitative structure-activity relationships in fish toxicity studies. Part I: Relationship for 50 industrial pollutants
    • H. Könemann, Quantitative structure-activity relationships in fish toxicity studies. Part I: Relationship for 50 industrial pollutants, Toxicology 19 (1981), pp. 209-221.
    • (1981) Toxicology , vol.19 , pp. 209-221
    • Könemann, H.1
  • 24
    • 0020971444 scopus 로고
    • Structure-toxicity relationships for the fathead minnow, Pimephales promelas: Narcotic industrial chemicals
    • G.D. Veith, D.J. Call, and L.T. Brooke, Structure-toxicity relationships for the fathead minnow, Pimephales promelas: Narcotic industrial chemicals, Can. J. Fish. Aquat. Sci. 40 (1983), pp. 743-748.
    • (1983) Can. J. Fish. Aquat. Sci. , vol.40 , pp. 743-748
    • Veith, G.D.1    Call, D.J.2    Brooke, L.T.3
  • 25
    • 0025071340 scopus 로고
    • Rules for distinguishing toxicants that cause type I and type II narcosis syndromes
    • G.D. Veith and S.J. Broderius, Rules for distinguishing toxicants that cause type I and type II narcosis syndromes, Environ. Health Persp. 87 (1990), pp. 207-211.
    • (1990) Environ. Health Persp. , vol.87 , pp. 207-211
    • Veith, G.D.1    Broderius, S.J.2
  • 26
    • 0026625962 scopus 로고
    • Application of QSARs, extrapolation and equilibrium partitioning in aquatic effects assessment. 1. Narcotic industrial pollutants
    • C.J. van Leeuwen, P.T.J. van der Zandt, T. Aldenberg, H.J.M. Verhaar, and J.L.M. Hermens, Application of QSARs, extrapolation and equilibrium partitioning in aquatic effects assessment. 1. Narcotic industrial pollutants, Environ. Toxicol. Chem. 11 (1992), pp. 267-282.
    • (1992) Environ. Toxicol. Chem. , vol.11 , pp. 267-282
    • van Leeuwen, C.J.1    van der Zandt, P.T.J.2    Aldenberg, T.3    Verhaar, H.J.M.4    Hermens, J.L.M.5
  • 27
    • 0026078787 scopus 로고
    • QSAR modeling of the ERL-D fathead minnow acute toxicity database
    • M. Nendza and C.L. Russom, QSAR modeling of the ERL-D fathead minnow acute toxicity database, Xenobiotica 21 (1991), pp. 147-170.
    • (1991) Xenobiotica , vol.21 , pp. 147-170
    • Nendza, M.1    Russom, C.L.2
  • 28
    • 55549124290 scopus 로고    scopus 로고
    • US EPA,: United States Environmental Protection Agency, Washington DC
    • US EPA, Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11. United States Environmental Protection Agency, Washington DC, 2012; software available at http://www.epa.gov/oppt/newchems/tools/21ecosar.htm.
    • (2012) Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11
  • 29
    • 53849148292 scopus 로고    scopus 로고
    • An evaluation of the implementation of the Cramer classification scheme in the Toxtree software
    • G. Patlewicz, N. Jeliazkova, R.J. Safford, A.P. Worth, and B. Aleksiev, An evaluation of the implementation of the Cramer classification scheme in the Toxtree software, SAR QSAR Environ. Res. 19 (2008), pp. 495-524.
    • (2008) SAR QSAR Environ. Res. , vol.19 , pp. 495-524
    • Patlewicz, G.1    Jeliazkova, N.2    Safford, R.J.3    Worth, A.P.4    Aleksiev, B.5
  • 30
    • 85194979755 scopus 로고    scopus 로고
    • ToxTree Version 2.6.0; software available at http://toxtree.sourceforge.net.
    • ToxTree Version 2.6.0
  • 34
    • 0023160928 scopus 로고
    • Fish acute toxicity syndromes and their use in the QSAR approach to hazard assessment
    • J.M. McKim, S.P. Bradbury, and G.J. Niemi, Fish acute toxicity syndromes and their use in the QSAR approach to hazard assessment, Environ. Health Persp. 71 (1987), pp. 171-186.
    • (1987) Environ. Health Persp. , vol.71 , pp. 171-186
    • McKim, J.M.1    Bradbury, S.P.2    Niemi, G.J.3
  • 36
    • 0028679436 scopus 로고
    • Predicting modes of toxic action from chemical structure: An overview
    • S.P. Bradbury, Predicting modes of toxic action from chemical structure: An overview, SAR QSAR Environ. Res. 2 (1994), pp. 89-104.
    • (1994) SAR QSAR Environ. Res. , vol.2 , pp. 89-104
    • Bradbury, S.P.1
  • 37
    • 77949904980 scopus 로고    scopus 로고
    • The use of mechanisms and modes of toxic action in integrated testing strategies: The report and recommendations of a workshop held as part of the European Union OSIRIS integrated project
    • J.A. Vonk, R. Benigni, M. Hewitt, M. Nendza, H. Segner, D. van De Meent, and M.T.D. Cronin, The use of mechanisms and modes of toxic action in integrated testing strategies: The report and recommendations of a workshop held as part of the European Union OSIRIS integrated project, ATLA 37 (2009), pp. 557-571.
    • (2009) ATLA , vol.37 , pp. 557-571
    • Vonk, J.A.1    Benigni, R.2    Hewitt, M.3    Nendza, M.4    Segner, H.5    van De Meent, D.6    Cronin, M.T.D.7
  • 38
    • 0021428756 scopus 로고
    • Quantitative structure-activity relationships and toxicity studies of mixtures of chemicals with anaesthetic potency: Acute lethal and sublethal toxicity to Daphnia magna
    • J.L.M. Hermens, H. Canton, P. Janssen, and R. de Jong, Quantitative structure-activity relationships and toxicity studies of mixtures of chemicals with anaesthetic potency: Acute lethal and sublethal toxicity to Daphnia magna, Aquat. Toxicol. 5 (1984), pp. 143-154.
    • (1984) Aquat. Toxicol. , vol.5 , pp. 143-154
    • Hermens, J.L.M.1    Canton, H.2    Janssen, P.3    de Jong, R.4
  • 39
    • 0000699025 scopus 로고
    • Acute toxicity of chlorophenols to green algae, Selenastrum capricornutum and Chlorella vulgaris, and quantitative structure-activity relationship
    • T. Shigeoka, Y. Sato, Y. Takeda, K. Yoshida, and F. Yamauchi, Acute toxicity of chlorophenols to green algae, Selenastrum capricornutum and Chlorella vulgaris, and quantitative structure-activity relationship, Environ. Toxicol. Chem. 7 (1988), pp. 847-854.
    • (1988) Environ. Toxicol. Chem. , vol.7 , pp. 847-854
    • Shigeoka, T.1    Sato, Y.2    Takeda, Y.3    Yoshida, K.4    Yamauchi, F.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.