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Original Articles

QSAR modeling of the adult and developmental toxicity of glycols, glycol ethers and xylenes to hydra attenuata

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Pages 555-566 | Published online: 29 Oct 2010

References

  • Johnson , E.M. , Gorman , R.M. , Gabel , B.E.G. and George , M.E. 1982 . “The Hydra attenuata system for detection of teratogenic hazards” . Teratogenesis Carcinog. Mutagen. , 2 : 263 – 276 .
  • Johnson , E.M. and Gabel , B.E.G. 1983 . “An artificial embryo for detection of abnormal developmental biology” . Fundam. Appl. Toxicol. , 3 : 243 – 249 .
  • Johnson , E.M. , Christian , M.S. , Dansky , L. and Gabel , B.E.G. 1987 . “Use of the adult developmental relationship in prescreening for developmental hazards” . Teratogenesis Carcinog. Mutagen. , 7 : 273 – 285 .
  • Johnson , E.M. , Newman , L.M. , Gabel , B.E.G. , Boerner , T.F. and Dansky , L.A. 1988 . “An analysis of the Hydra assay's applicability and reliability as a developmental toxicity prescreen” . J. Am. Coll. Toxicol. , 7 : 111 – 126 .
  • INSERM . 1999 . Ethers de Glycol. Quels Risques pour la Santé? , 348 Paris : INSERM .
  • Johnson , E.M. , Gabel , B.E.G. and Larson , J. 1984 . “Developmental toxicity and structure/activity correlates of glycols and glycol ethers” . Environ. Health Perspect. , 57 : 135 – 139 .
  • Schultz , T.W. and Dawson , D.A. 1990 . “Structure-activity relationships for teratogenicity and developmental toxicity” . In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology , Edited by: Karcher , W. and Devillers , J. 389 – 409 . Dordrecht : Kluwer .
  • Ramos , E.U. , Vaes , W.H.J. , Verhaar , H.J.M. and Hermens , J.L.M. 1998 . “Quantitative structure-activity relationships for the aquatic toxicity of polar and nonpolar narcotic pollutants” . J. Chem. Inf. Comput. Sci. , 38 : 845 – 852 .
  • Johnson , E.M. , Gabel , B.E.G. , Christian , M.S. and Sica , E. 1986 . “The developmental toxicity of xylene and xylene isomers in the Hydra assay” . Toxicol. Appl. Pharmacol. , 82 : 323 – 328 .
  • Lide , D.R. 1991 . Handbook of Chemistry and Physics, , 72nd Ed. , Boca Raton : CRC Press .
  • Lide , D.R. 1995 . Handbook of Organic Solvents , 565 Boca Raton : CRC Press .
  • Moreau , G. and Broto , P. 1980 . “The autocorrelation of a topological structure: a new molecular descriptor” . Nouv. J. Chim. , 4 : 359 – 360 .
  • Moreau , G. and Broto , P. 1980 . “Autocorrelation of molecular structures, application to SAR studies” . Nouv. J. Chim. , 4 : 757 – 764 .
  • Devillers , J. 1999 . “Autocorrelation descriptors for modeling (eco)toxicological endpoints” . In Topological Indices and Related Descriptors in QSAR and QSPR , Edited by: Devillers , J. and Balaban , A.T. 595 – 612 . The Netherlands : Gordon and Breach .
  • Devillers , J. , Domine , D. and Chastrette , M. "A new method of computing the octanol/water partition coefficient" . Proceedings of QSAR92 . July 19-23 1992 , Duluth , MN , USA. pp. 12
  • Rekker , R.F. and Mannhold , R. 1992 . Calculation of Drug Lipophilicity. The Hydrophobic Fragmental Constant Approach , 112 Weinheim : VCH .
  • Hansch , C. and Leo , A. 1979 . Substituent Constants for Correlation Analysis in Chemistry and Biology , New York : Wiley .
  • AUTOCOR™ (Version 2.40). CTIS, 3 Chemin de la Gravière, 69140 Rillieux La Pape, France.
  • Geladi , P. and Tosato , M.L. 1990 . “Multivariate latent variable projection methods: SIMCA and PLS” . In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology , Edited by: Karcher , W. and Devillers , J. 171 – 179 . Dordrecht : Kluwer .
  • STATISTICA, Version 6, StatSoft, 31 cours des Juilliottes , France : 94700 Maisons-Alfort .
  • Hansch , C. , Leo , A. and Hoekman , D. 1995 . Exploring QSAR. Hydrophobic, Electronic, and Steric Constants , 348 Washington, DC : ACS Professional Reference Book .
  • Meylan , W.M. and Howard , P.H. 1995 . “Atom/fragment contribution method for estimating octanol-water partition coefficients” . J. Pharm. Sci. , 84 : 83 – 92 .
  • Devillers , J. , Domine , D. , Guillon , C. , Bintein , S. and Karcher , W. 1997 . “Prediction of partition coefficients (log P oct) using autocorrelation descriptors” . SAR QSAR Environ. Res. , 7 : 151 – 172 .
  • Devillers , J. and Domine , D. 1997 . “Comparison of reliability of log P values calculated from a group contribution approach and from the autocorrelation method” . SAR QSAR Environ. Res. , 7 : 195 – 232 .
  • Schultz , T.W. , Sinks , G.D. and Bearden , A.P. 1998 . “QSAR in aquatic toxicology: a mechanism of action approach comparing toxic potency to Pimephales promelas, Tetrahymena pyriformis, and Vibrio fischeri” . In Comparative QSAR , Edited by: Devillers , J. 51 – 109 . Philadelphia : Taylor and Francis .
  • Devillers , J. 1998 . “Environmental chemistry” . In The Encyclopedia of Computational Chemistry , Edited by: Schleyer , P.v.P. , Allinger , N.L. , Clark , T. , Gasteiger , J. , Kollman , P.A. , Schaefer , H.F. and Schreiner , P.R. Vol. 2 , 930 – 941 . Chichester : John Wiley .
  • Lindgren , F. , Eriksson , L. , Hellberg , S. , Jonsson , J. , Sjöström , M. and Wold , S. 1991 . “A strategy for ranking environmentally occurring chemicals. Part IV: development of chemical model systems for characterization of halogenated aliphatic hydrocarbons” . Quant. Struct.-Act. Relat. , 10 : 36 – 42 .
  • DeVito , S.C. 1996 . “General principles for the design of safer chemicals: toxicological considerations for chemists” . In Designing Safer Chemicals. Green Chemistry for Pollution Prevention ACS Symposium Series 640 , Edited by: DeVito , S.C. and Garrett , R.L. 16 – 59 . Washington : ACS .

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