Alan R. Katritzky
According to our database1,
Alan R. Katritzky
authored at least 46 papers
between 1993 and 2014.
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Bibliography
2014
Synthesis, Bioassay, and Molecular Field Topology Analysis of Diverse Vasodilatory Heterocycles.
J. Chem. Inf. Model., 2014
2010
A General Treatment of Solubility 4. Description and Analysis of a PCA Model for Ostwald Solubility Coefficients.
J. Chem. Inf. Model., 2010
2009
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., 2009
QSPR study of the first and second critical micelle concentrations of cationic surfactants.
Comput. Chem. Eng., 2009
2008
J. Chem. Inf. Model., 2008
2007
QSPR Study of Critical Micelle Concentration of Anionic Surfactants Using Computational Molecular Descriptors.
J. Chem. Inf. Model., 2007
Rapid QSPR model development technique for prediction of vapor pressure of organic compounds.
Comput. Chem. Eng., 2007
2006
2005
A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents.
J. Chem. Inf. Model., 2005
Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program [<i>J. Chem. Inf. Comput. Sci</i>. <i>42</i>, 225-231 (2002)].
J. Chem. Inf. Model., 2005
2004
"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., 2004
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., 2004
J. Chem. Inf. Model., 2004
Quantitative Structure-Property Relationship Modeling of <i>beta</i>-Cyclodextrin Complexation Free Energies.
J. Chem. Inf. Model., 2004
2003
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., 2003
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., 2003
2002
The Chemical Inventory System of the Center for Heterocyclic Compounds, University of Florida.
J. Chem. Inf. Comput. Sci., 2002
QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids.
J. Chem. Inf. Comput. Sci., 2002
Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program.
J. Chem. Inf. Comput. Sci., 2002
Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships.
J. Chem. Inf. Comput. Sci., 2002
2001
Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships.
J. Chem. Inf. Comput. Sci., 2001
Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures.
J. Chem. Inf. Comput. Sci., 2001
J. Chem. Inf. Comput. Sci., 2001
J. Chem. Inf. Comput. Sci., 2001
QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene.
J. Chem. Inf. Comput. Sci., 2001
1999
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors.
J. Chem. Inf. Comput. Sci., 1999
1998
QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients.
J. Chem. Inf. Comput. Sci., 1998
Quantitative Structure-Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers.
J. Chem. Inf. Comput. Sci., 1998
J. Chem. Inf. Comput. Sci., 1998
General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds.
J. Chem. Inf. Comput. Sci., 1998
J. Chem. Inf. Comput. Sci., 1998
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship.
J. Chem. Inf. Comput. Sci., 1998
Correlation of the Aqueous Solubility of Hydrocarbons and Halogenated Hydrocarbons with Molecular Structure.
J. Chem. Inf. Comput. Sci., 1998
1997
J. Chem. Inf. Comput. Sci., 1997
J. Chem. Inf. Comput. Sci., 1997
1996
Prediction of Polymer Glass Transition Temperatures Using a General Quantitative Structure-Property Relationship Treatment.
J. Chem. Inf. Comput. Sci., 1996
J. Chem. Inf. Comput. Sci., 1996
1993
Comparison of the scope, timeliness and quality of chemical abstracts from VINITI and CAS.
J. Inf. Sci., 1993
Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research.
J. Chem. Inf. Comput. Sci., 1993
Rapid conversion of molecular graphs to three-dimensional representation using the MOLGEO program.
J. Chem. Inf. Comput. Sci., 1993
Reconsideration of solvent effects calculated by semiempirical quantum chemical methods.
J. Comput. Chem., 1993