1. QSPR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene
    (A. R. Katritzky, F.H. Ignatz-Hoover, R. Petrukhin, M. Karelson)  J. Chem. Inf. Comput. Sci., 2001, 41, 295.

  2. Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures
    (A. R. Katritzky, D.B. Tatham, U. Maran)  J. Chem. Inf. Comput. Sci., 2001, 41, 358.

  3. CODESSA-Base Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities
    (A. R. Katritzky, S. Perumal, R. Petrukhin, E. Kleinpeter)  J. Chem. Inf. Comput. Sci., 2001, 41, 569.

  4. A QSRR-Treatment of Solvent Effects on the Decarboxylation of 6-Nitrobenzisoxazole-3-carboxylates Employing Molecular Descriptors
    (A. R. Katritzky, S. Perumal, R. Petrukhin)  J. Org. Chem., 2001, 66, 4036.

  5. Interpretation of Quantitative Structure - Property and -Activity Relationships
    (A. R. Katritzky, R. Petrukhin, D. Tatham, S. Basak, E. Benfenati, M. Karelson, U. Maran)  J. Chem. Inf. Comput. Sci., 2001, 41, 679.

  6. Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships
    (A. R. Katritzky, D.B. Tatham, U. Maran)  J. Chem. Inf. Comput. Sci., 2001, 41, 1162.

  7. QSPR Analysis of Flash Points
    (A. R. Katritzky, R. Petrukhin, R. Jain, M. Karelson)  J. Chem. Inf. Comput. Sci., 2001, 41, 1521.

  8. Perspective on the Relationship between Melting Points and Chemical Structure
    (A. R. Katritzky, R. Jain, A. Lomaka, R. Petrukhin, U. Maran, M. Karelson)  Crystal Growth & Design, 2001, 1, 261.

  9. QSAR Correlations of the Algistatic Activity of 5-Amino-1-aryl-1H-tetrazoles
    (A. R. Katritzky, R. Jain, R. Petrukhin, S.N. Denisenko, T. Schelenz)  S. Q. Env. Res., 2001, 12, 259.

  10. QSPR Correlation and Predictions of GC Retention Indexes for Methyl-Branched Hydrocarbons Produced by Insects
    (A. R. Katritzky,  K. Chen, U. Maran, D.A. Carlson)  Anal. Chem., 2000, 72, 101.

  11. Structurally Diverse Quantitative Structure-Property Relationship Correlations of Technologically Relevant Physical Properties
    (A. R. Katritzky, U. Maran, V.S. Lobanov, M. Karelson)  J. Chem. Inf. Comput. Sci., 2000 40, 1.

  12. Prediction of Liquid Viscosity for Organic Compounds by a Quantitative Structure-Property Relationship
    (A. R. Katritzky, K. Chen, Y. Wang,  M. Karelson, B. Lucic, N. Trinajstic, T. Suzuki, G. Shuurmann)  J. Phys. Org. Chem., 2000, 13, 80.

  13. A Comprehensive QSAR Treatment of the Genotoxicity of Heteroaromatic and Aromatic Amines
    (A. R. Katritzky, U. Maran, M. Karelson)  Quant. Struct. Act. Relat. Pharmacol. Chem. Biol., 1999, 18, 3.

  14. A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors
    (A. R. Katritzky, B. Lucic, N. Trinajstic, S. Sild, M. Karelson,)  J. Chem. Inf. Comput. Sci., 1999, 39, 610.

  15. QSPR Treatment of Solvent Scales
    (A. R. Katritzky, T. Tamm, Y. Wang, S. Sild, M. Karelson)  J. Chem. Inf. Comput. Sci., 1999, 39, 684.

  16. A Unified Treatment of Solvent Properties
    (A. R. Katritzky, T. Tamm, Y. Wang, M. Karelson)  J. Chem. Inf. Comput. Sci., 1999, 39, 692.

  17. QSPR and QSAR Models Derived Using Large Molecular Descriptor Spaces. A Review of CODESSA Applications
    (A. R. Katritzky, M. Karelson, U. Maran, Y. Wang)  Collect. Czech. Chem. Commun., 1999, 64, 1551.

  18. Insights into Sulfur Vulcanization from QSPR Quantitative Structure-Property Relationship Studies
    (A. R. Katritzky, F. Ignatz-Hoover, V.S. Lobanov, M. Karelson)  Rubber Chem. Technol., 1999, 72, 318.

  19. Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure - Property Relationship (A. R. Katritzky, V.S. Lobanov, M. Karelson)  J. Chem. Inf. Comput. Sci., 1998, 38, 28.

  20. Quantitative Structure - Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers
    (A. R. Katritzky, S. Sild, V. Lobanov, M. Karelson)  J. Chem. Inf. Comput. Sci., 1998,  38, 300.

  21. Correlation of the Aqueous Solubility of Hydrocarbons and Halogenated Hydrocarbons with Molecular Structure
    (A. R. Katritzky, P.D.T. Huibers)  J. Chem. Inf. Comput. Sci., 1998, 38, 283.

  22. Relationship of Critical Temperatures to Calculated Molecular Properties
    (A. R. Katritzky, L. Mu, M. Karelson)  J. Chem. Inf. Comput. Sci., 1998, 38, 293 .

  23. QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients
    (A. R. Katritzky, Y. Wang, S. Sild, T. Tamm, M. Karelson)  J. Chem. Inf. Comput. Sci., 1998, 38, 720.

  24. General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds
    (A. R. Katritzky, S. Sild, M. Karelson)  J. Chem. Inf. Comput. Sci., 1998, 38, 840.

  25. Correlation and Prediction of the Refractive Indices of Polymers by QSPR
    (A. R. Katritzky, S. Sild, M. Karelson)  J. Chem. Inf. Comput. Sci., 1998, 38, 1171.

  26. Prediction of Critical Micelle Concentration Using a Quantitative Structure-Property Relationship Approach. 2. Anionic Surfactants
    (A. R. Katritzky, P.D.T. Huibers, V.S. Lobanov, D.O. Shah, M. Karelson)  J.  Colloid and Interface Sci., 1997, 187, 113.

  27. QSPR as a Means of Predicting and Understanding Chemical and Physical Properties in Terms of Structure
    (A. R. Katritzky, M. Karelson, V.S. Lobanov)  Pure Appl. Chem., 1997, 69, 245.

  28. Predicting Surfactant Cloud Point from Molecular Structure
    (A. R. Katritzky, P.D.T. Huibers, D.O. Shah)  J.  Colloid and Interface Sci., 1997, 193, 132.

  29. Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach
    (A. R. Katritzky, U. Maran, M. Karelson, V.S. Lobanov)  J. Chem. Inf. Comput. Sci., 1997, 37, 913.

  30. QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale
    (A. R. Katritzky, L. Mu, M. Karelson)  J. Chem. Inf. Comput. Sci., 1997, 37, 756.

  31. Prediction of Critical Micelle Concentration Using a Quantitative Structure-Property Relationship Approach. 1. Nonionic Surfactants
    (A. R. Katritzky, P.D.T. Huibers, V.S. Lobanov, D.O. Shah, M. Karelson)  Langmuir, 1996, 12, 1462.

  32. Correlation of Boiling Points with Molecular Structure. 1.  A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics
    (A. R. Katritzky, L. Mu, V.S. Lobanov, M. Karelson)  J. Phys. Chem., 1996, 100, 10400.

  33. Quantum-Chemical Descriptors in QSAR/QSPR Studies
    (A. R. Katritzky,  M. Karelson, V.S. Lobanov)  Chem. Rev., 1996,  96, 1027.

  34. Prediction of Polymer Glass Transition Temperatures Using A General Quantitative Structure-Property Relationship Treatment
    (A. R. Katritzky, P. Rachwal, K.W. Law, M. Karelson, V.S. Lobanov)  J. Chem. Inf. Comput. Sci., 1996, 36, 879.

  35. A QSPR Study of the Solubility of Gases and Vapors in Water
    (A. R. Katritzky, L. Mu, M. Karelson)  J. Chem. Inf. Comput. Sci., 1996, 36, 1162.

  36. Comprehensive Descriptors for Structural and Statistical Analysis. 1 Correlations Between Structure and Physical Properties of Substituted Pyridines
    (A. R. Katritzky, V.S. Lobanov, M. Karelson, R. Murugan, M.P. Grendze, J.E. Toomey Jr.)  Rev. Roum. Chim., 1996, 41, 851.

  37. QSPR: The Correlation and Quantitative Prediction of Chemical and Physical Properties from Structure
    (A. R. Katritzky, V.S. Lobanov, M. Karelson)  Chem. Soc. Rev., 1995, 279.

  38. Predicting Physical Properties from Molecular Structure
    (A. R. Katritzky, R.Murugan, M.P. Grendze, J.E. Toomey, Jr, M. Karelson, V. Lobanov, P. Rachwal)  Chem. Tech., 1994, 24, 17.

  39. Prediction of Gas Chromatogrphic Retention Times and Response Factors Using a General Quantitative Structure-Property Relationship Treatment
    (A. R. Katritzky, E.S. Ignatchenko, R.A. Barcock, V.S. Lobanov, M. Karelson)  Anal. Chem., 1994, 66, 1799.

 

  
 
 
   
 
   
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