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SAR and QSAR in Environmental Research Volume 7, 1997 - Issue 1-4
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Original Articles

30-Modelling and Prediction by WHIM Descriptors. Part 8. Toxicity and Physico-chemical Properties of Environmental Priority Chemicals by 2D-TI and 3D-WHIM Descriptors

R. Todeschini Department of Environmental Sciences, University of Milan, Via Emanueli, 15-I-20126, Milan, Italy
,
M. Vighi Institute of Agricultural Entomology, University of Milan, Via Celoria, 2-I-20133, Milan, Italy
,
A. Finizio Institute of Agricultural Entomology, University of Milan, Via Celoria, 2-I-20133, Milan, Italy
&
P. Gramatica Department of Environmental Sciences, University of Milan, Via Emanueli, 15-I-20126, Milan, Italy
Pages 173-193 | Received 27 Feb 1997, Accepted 15 Jun 1997, Published online: 05 Oct 2006

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J.C. Dearden, P. Rotureau & G. Fayet. (2013) QSPR prediction of physico-chemical properties for REACH. SAR and QSAR in Environmental Research 24:4, pages 279-318.
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Todd M. Martin, Paul Harten, Raghuraman Venkatapathy, Shashikala Das & Douglas M. Young. (2008) A Hierarchical Clustering Methodology for the Estimation of Toxicity. Toxicology Mechanisms and Methods 18:2-3, pages 251-266.
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S.C. Basak, B.D. Gute & G.D. Grunwald. (1999) Assessment of the Mutagenicity of Aromatic Amines from Theoretical Structural Parameters: A Hierarchical Approach. SAR and QSAR in Environmental Research 10:2-3, pages 117-129.
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C. Chiorboli, P. Gramatica, R. Piazza, A. Pino & R. Todeschini. (1997) 3D-Modelling and Prediction by Whim Descriptors. Part 7. Physico-Chemical Properties of Haloaromatics: Comparison Between Whim and Topological Descriptors. SAR and QSAR in Environmental Research 7:1-4, pages 133-150.
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R. Todeschini & P. Gramatica. (1997) The Whim Theory: New 3D Molecular Descriptors for Qsar in Environmental Modelling. SAR and QSAR in Environmental Research 7:1-4, pages 89-115.
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P Gramatica, M Corradi & V Consonni. (2000) Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 41:5, pages 763-777.
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M. Forina, S. Lanteri & R. Todeschini. 2000. Chemical Processes in Marine Environments. Chemical Processes in Marine Environments 387 404 .
P. Gramatica, N. Navas & R. Todeschini. (1999) Classification of organic solvents and modelling of their physico-chemical properties by chemometric methods using different sets of molecular descriptors. TrAC Trends in Analytical Chemistry 18:7, pages 461-471.
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John C. Dearden. 1999. Advances in Quantative Structure - Property Relationships Volume 2. Advances in Quantative Structure - Property Relationships Volume 2 127 175 .

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