Alan R. Katritzky

46 papers Journal 46
YearRankTypeTitle / Venue / Authors
2014 J jnl
Synthesis, Bioassay, and Molecular Field Topology Analysis of Diverse Vasodilatory Heterocycles.
J. Chem. Inf. Model.
Polina V. Oliferenko, Alexander A. Oliferenko, Adel S. Girgis, Dalia O. Saleh, Aladdin M. Srour, Riham F. George, Girinath G. Pillai, Chandramukhi S. Panda, C. Dennis Hall, Alan R. Katritzky
2010 J jnl
A General Treatment of Solubility 4. Description and Analysis of a PCA Model for Ostwald Solubility Coefficients.
J. Chem. Inf. Model.
Indrek Tulp, Dimitar A. Dobchev, Alan R. Katritzky, William E. Acree Jr., Uko Maran
2010 J jnl
Tautomerism in drug discovery.
J. Comput. Aided Mol. Des.
Alan R. Katritzky, C. Dennis Hall, Bahaa El-Dien M. El-Gendy, Bogdan Draghici
2009 J jnl
New Developments in Hydrogen Bonding Acidity and Basicity of Small Organic Molecules for the Prediction of Physical and ADMET Properties. Part 2. The Universal Solvation Equation.
J. Chem. Inf. Model.
Polina V. Oliferenko, Alexander A. Oliferenko, Gennadiy Poda, Vladimir A. Palyulin, Nikolai S. Zefirov, Alan R. Katritzky
2009 J jnl
QSPR study of the first and second critical micelle concentrations of cationic surfactants.
Comput. Chem. Eng.
Alan R. Katritzky, Liliana M. Pacureanu, Svetoslav H. Slavov, Dimitar A. Dobchev, Dinesh O. Shah, Mati Karelson
2008 J jnl
Legitimate Utilization of Large Descriptor Pools for QSPR/QSAR Models.
J. Chem. Inf. Model.
Alan R. Katritzky, Dimitar A. Dobchev, Svetoslav H. Slavov, Mati Karelson
2007 J jnl
QSPR Study of Critical Micelle Concentration of Anionic Surfactants Using Computational Molecular Descriptors.
J. Chem. Inf. Model.
Alan R. Katritzky, Liliana M. Pacureanu, Dimitar A. Dobchev, Mati Karelson
2007 J jnl
QSPR modeling of UV absorption intensities.
J. Comput. Aided Mol. Des.
Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson
2007 J jnl
Rapid QSPR model development technique for prediction of vapor pressure of organic compounds.
Comput. Chem. Eng.
Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson
2006 J jnl
Neural Networks Convergence Using Physicochemical Data.
J. Chem. Inf. Model.
Mati Karelson, Dimitar A. Dobchev, Oleksandr V. Kulshyn, Alan R. Katritzky
2005 J jnl
A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents.
J. Chem. Inf. Model.
Alan R. Katritzky, Indrek Tulp, Dan C. Fara, Antonino Lauria, Uko Maran, William E. Acree Jr.
2005 J jnl
Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program [
J. Chem. Inf. Model.
Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers
2004 J jnl
"In Silico" Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests.
J. Chem. Inf. Model.
Alexandre Varnek, Denis Fourches, Vitaly P. Solov'ev, Vladimir E. Baulin, Alexander N. Turanov, Vasili K. Karandashev, Dan C. Fara, Alan R. Katritzky
2004 J jnl
Aqueous Biphasic Systems. Partitioning of Organic Molecules: A QSPR Treatment.
J. Chem. Inf. Model.
Alan R. Katritzky, Kaido Tämm, Minati Kuanar, Dan C. Fara, Alexander A. Oliferenko, Polina V. Oliferenko, Jonathan G. Huddleston, Robin D. Rogers
2004 J jnl
Quantitative Structure-Property Relationship Modeling of
J. Chem. Inf. Model.
Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek
2004 J jnl
Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds.
J. Chem. Inf. Model.
Alexander A. Oliferenko, Polina V. Oliferenko, Jonathan G. Huddleston, Robin D. Rogers, Vladimir A. Palyulin, Nikolai S. Zefirov, Alan R. Katritzky
2003 J jnl
A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, Ruslan Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, William E. Acree Jr.
2003 J jnl
A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, Ruslan Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, William E. Acree Jr.
2002 J jnl
Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers
2002 J jnl
Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships.
J. Chem. Inf. Comput. Sci.
William L. Fitch, Malcolm McGregor, Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, Mati Karelson
2002 J jnl
QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, Ritu Jain, Mati Karelson, Ann E. Visser, Robin D. Rogers
2002 J jnl
The Chemical Inventory System of the Center for Heterocyclic Compounds, University of Florida.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Sergey Denisenko
2001 J jnl
CODESSA-Based Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Subbu Perumal, Ruslan Petrukhin, Erich Kleinpeter
2001 J jnl
Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Douglas B. Tatham, Uko Maran
2001 J jnl
Interpretation of Quantitative Structure-Property and -Activity Relationships.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati Karelson, Uko Maran
2001 J jnl
QSPR Analysis of Flash Points.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Ruslan Petrukhin, Ritu Jain, Mati Karelson
2001 J jnl
QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene.
J. Chem. Inf. Comput. Sci.
Frederick Ignatz-Hoover, Ruslan Petrukhin, Mati Karelson, Alan R. Katritzky
2001 J jnl
Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Douglas B. Tatham, Uko Maran
1999 J jnl
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors.
J. Chem. Inf. Comput. Sci.
Bono Lui, Nenad Trinajstic, Sulev Sild, Mati Karelson, Alan R. Katritzky
1999 J jnl
A Unified Treatment of Solvent Properties.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Mati Karelson
1999 J jnl
QSPR Treatment of Solvent Scales.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Sulev Sild, Mati Karelson
1998 J jnl
Correlation and Prediction of the Refractive Indices of Polymers by QSPR.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Sulev Sild, Mati Karelson
1998 J jnl
Correlation of the Aqueous Solubility of Hydrocarbons and Halogenated Hydrocarbons with Molecular Structure.
J. Chem. Inf. Comput. Sci.
Paul D. T. Huibers, Alan R. Katritzky
1998 J jnl
General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Sulev Sild, Mati Karelson
1998 J jnl
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Victor S. Lobanov, Mati Karelson
1998 J jnl
QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Yilin Wang, Sulev Sild, Tarmo Tamm, Mati Karelson
1998 J jnl
Quantitative Structure-Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Sulev Sild, Victor S. Lobanov, Mati Karelson
1998 J jnl
Relationships of Critical Temperatures to Calculated Molecular Properties.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Lan Mu, Mati Karelson
1997 J jnl
Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Uko Maran, Mati Karelson, Victor S. Lobanov
1997 J jnl
QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Lan Mu, Mati Karelson
1996 J jnl
A QSPR Study of the Solubility of Gases and Vapors in Water.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Lan Mu, Mati Karelson
1996 J jnl
Prediction of Polymer Glass Transition Temperatures Using a General Quantitative Structure-Property Relationship Treatment.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Peter Rachwal, Kam Wah Law, Mati Karelson, Victor S. Lobanov
1993 J jnl
Comparison of the scope, timeliness and quality of chemical abstracts from VINITI and CAS.
J. Inf. Sci.
Alan R. Katritzky, Stephen J. Cato, James A. Deyrup
1993 J jnl
Rapid conversion of molecular graphs to three-dimensional representation using the MOLGEO program.
J. Chem. Inf. Comput. Sci.
Ekaterina Gordeeva, Alan R. Katritzky, Vladimir V. Shcherbukhin, Nikolai S. Zefirov
1993 J jnl
Reconsideration of solvent effects calculated by semiempirical quantum chemical methods.
J. Comput. Chem.
Miroslaw Szafran, Mati Karelson, Alan R. Katritzky, Jacek Koput, Michael C. Zerner
1993 J jnl
Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Ekaterina Gordeeva