Quantitative Structure-Activity Relationships for Acute Aquatic Toxicity: The Role of Mechanism of Toxic Action in Successful Modeling

[1]  M T D Cronin,et al.  The importance of hydrophobicity and electrophilicity descriptors in mechanistically-based QSARs for toxicological endpoints , 2002, SAR and QSAR in environmental research.

[2]  J. Devillers,et al.  A General QSAR Model for Predicting the Acute Toxicity of Pesticides to Oncorhynchus mykiss , 2000, SAR and QSAR in environmental research.

[3]  T. W. Schultz,et al.  Quantitative structure-toxicity relationships and volume fraction analyses for selected esters , 1995, Archives of environmental contamination and toxicology.

[4]  T W Schultz,et al.  Structure-Toxicity Analyses of Tetrahymena Pyriformis Exposed to Pyridines - An Examination Into Extension of Surface-Response Domains , 2001, SAR and QSAR in environmental research.

[5]  A.M. Richard,et al.  AI and SAR approaches for predicting chemical carcinogenicity: Survey and status report , 2002, SAR and QSAR in environmental research.

[6]  John C. Dearden,et al.  A NOTE OF CAUTION TO USERS OF ECOSAR , 1999 .

[7]  P. O'Brien Molecular mechanisms of quinone cytotoxicity. , 1991, Chemico-biological interactions.

[8]  J. Dearden,et al.  QSAR in Toxicology. 1. Prediction of Aquatic Toxicity , 1995 .

[9]  R L Lipnick,et al.  A QSAR study of the toxicity of amines to the fathead minnow. , 1991, The Science of the total environment.

[10]  T W Schultz,et al.  Relationships of quantitative structure-activity to comparative toxicity of selected phenols in the Pimephales promelas and Tetrahymena pyriformis test systems. , 1986, Ecotoxicology and environmental safety.

[11]  T W Schultz,et al.  Development of quantitative structure-activity relationships for the toxicity of aromatic compounds to Tetrahymena pyriformis: comparative assessment of the methodologies. , 2001, Chemical research in toxicology.

[12]  Danail Bonchev,et al.  The microcomputer OASIS system for predicting the biological activity of chemical compounds , 1990, Comput. Chem..

[13]  J. Hermens,et al.  Classifying environmental pollutants. 2: Separation of class 1 (baseline toxicity) and class 2 (‘polar narcosis’) type compounds based on chemical descriptors , 1996 .

[14]  J. Hermens,et al.  A quantitative structure-activity relationship for the acute toxicity of some epoxy compounds to the guppy , 1988 .

[15]  H. Könemann Quantitative structure-activity relationships in fish toxicity studies. Part 1: relationship for 50 industrial pollutants. , 1981, Toxicology.

[16]  T W Schultz,et al.  Quantitative structure-activity analyses of nitrobenzene toxicity to Tetrahymena pyriformis. , 1998, Chemical research in toxicology.

[17]  Corwin Hansch,et al.  Comparative QSAR: Radical Reactions of Benzene Derivatives in Chemistry and Biology. , 1997, Chemical reviews.

[18]  Joop L. M. Hermens,et al.  Quantitative correlation studies between the acute lethal toxicity of 15 organic halides to the guppy (Poecillah Reticulata) and chemical reactivity towards 4‐nitrobenzylpyridine , 1985 .

[19]  R L Lipnick,et al.  The toxicity of acetylenic alcohols to the fathead minnow, Pimephales promelas: narcosis and proelectrophile activation. , 1989, Xenobiotica; the fate of foreign compounds in biological systems.

[20]  J V Nabholz,et al.  U.S. EPA regulatory perspectives on the use of QSAR for new and existing chemical evaluations. , 1995, SAR and QSAR in environmental research.

[21]  J. Hermens,et al.  Qualitative and quantitative modelling of toxic effects of organophosphorous compounds to fish. , 1991, The Science of the total environment.

[22]  Julian M. Ivanov,et al.  A New Development of the Oasis Computer System for Modeling Molecular Properties , 1994, Comput. Chem..

[23]  Klaus L.E. Kaiser,et al.  Photobacterium phosphoreum Toxicity Data Index , 1991 .

[24]  G. Veith,et al.  The electronic factor in QSAR: MO-parameters, competing interactions, reactivity and toxicity. , 1994, SAR and QSAR in environmental research.

[25]  Erik Johansson,et al.  Multivariate analysis of aquatic toxicity data with PLS , 1995, Aquatic Sciences.

[26]  J Devillers A General QSAR Model for Predicting the Acute Toxicity of Pesticides to Lepomis Macrochirus , 2001, SAR and QSAR in environmental research.

[27]  T W Schultz,et al.  Structure-toxicity relationships for phenols to Tetrahymena pyriformis. , 1996, Chemosphere.

[28]  D MacDonald,et al.  Uses and limitations of quantitative structure-activity relationships (QSARs) to categorize substances on the Canadian domestic substance list as persistent and/or bioaccumulative, and inherently toxic to non-human organisms , 2002, SAR and QSAR in environmental research.

[29]  James Devillers,et al.  PREDICTION OF TOXICITY OF ORGANOPHOSPHORUS INSECTICIDES AGAINST THE MIDGE, CHIRONOMUS RIPARIUS, VIA A QSAR NEURAL NETWORK MODEL INTEGRATING ENVIRONMENTAL VARIABLES , 2000 .

[30]  T. W. Schultz,et al.  TETRATOX: TETRAHYMENA PYRIFORMIS POPULATION GROWTH IMPAIRMENT ENDPOINTA SURROGATE FOR FISH LETHALITY , 1997 .

[31]  Joop L. M. Hermens,et al.  Solid phase microextraction as a tool to determine membrane/water partition coefficients and bioavailable concentrations in in vitro systems. , 1997, Chemical research in toxicology.

[32]  J. Hermens,et al.  Classifying environmental pollutants , 1992 .

[33]  T W Schultz,et al.  Structure–Toxicity Relationships for Selected Naphthoquinones to Tetrahymena pyriformis , 1998, Bulletin of environmental contamination and toxicology.

[34]  R L Lipnick,et al.  Nikolai Vasilyevich Lazarev, toxicologist and pharmacologist, comes in from the cold. , 1992, Trends in pharmacological sciences.

[35]  T. Schultz,et al.  Structure-toxicity relationships for selected weak acid respiratory uncouplers , 1990 .

[36]  M. Karelson,et al.  Quantum-Chemical Descriptors in QSAR/QSPR Studies. , 1996, Chemical reviews.

[37]  R. Lipnick Outliers: their origin and use in the classification of molecular mechanisms of toxicity. , 1991, The Science of the total environment.

[38]  J. Dearden,et al.  QSAR studies of comparative toxicity in aquatic organisms. , 1991, The Science of the total environment.

[39]  J. Bolton,et al.  Role of quinones in toxicology. , 2000, Chemical research in toxicology.

[40]  G. Klopman MULTICASE 1. A Hierarchical Computer Automated Structure Evaluation Program , 1992 .

[41]  Robert L. Lifnick Hans Horst Meyer and the lipoid theory of narcosis. , 1989 .

[42]  T W Schultz,et al.  Parametrization of electrophilicity for the prediction of the toxicity of aromatic compounds. , 2001, Chemical research in toxicology.

[43]  M. Sjöström,et al.  Modelling the Toxicity of Organophosphates: a Comparison of the Multiple Linear Regression and PLS Regression Methods , 1994 .

[44]  Robert L. Lipnick,et al.  Charles Ernest Overton: narcosis studies and a contribution to general pharmacology , 1986 .

[45]  A. V. van Wezel,et al.  Narcosis due to environmental pollutants in aquatic organisms: residue-based toxicity, mechanisms, and membrane burdens. , 1995, Critical reviews in toxicology.

[46]  Mark T. D. Cronin,et al.  Multivariate Discrimination between Modes of Toxic Action of Phenols , 2002 .

[47]  Eñaut Urrestarazu Ramos,et al.  Quantitative Structure-Activity Relationships for the Aquatic Toxicity of Polar and Nonpolar Narcotic Pollutants , 1998, J. Chem. Inf. Comput. Sci..