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ORCIDAlan R. Katritzky
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2010 – 2019
- 2014
[j46]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:
Synthesis, Bioassay, and Molecular Field Topology Analysis of Diverse Vasodilatory Heterocycles. J. Chem. Inf. Model. 54(4): 1103-1116 (2014)- 2010
- [j45]Alan R. Katritzky, C. Dennis Hall, Bahaa El-Dien M. El-Gendy, Bogdan Draghici:
Tautomerism in drug discovery. J. Comput. Aided Mol. Des. 24(6-7): 475-484 (2010) - [j44]Indrek Tulp, Dimitar A. Dobchev, Alan R. Katritzky, William E. Acree Jr., Uko Maran:
A General Treatment of Solubility 4. Description and Analysis of a PCA Model for Ostwald Solubility Coefficients. J. Chem. Inf. Model. 50(7): 1275-1283 (2010)
2000 – 2009
- 2009
- [j43]Alan R. Katritzky, Liliana M. Pacureanu, Svetoslav H. Slavov, Dimitar A. Dobchev, Dinesh O. Shah, Mati Karelson:
QSPR study of the first and second critical micelle concentrations of cationic surfactants. Comput. Chem. Eng. 33(1): 321-332 (2009) - [j42]Polina V. Oliferenko, Alexander A. Oliferenko, Gennadiy Poda, Vladimir A. Palyulin, Nikolai S. Zefirov, Alan R. Katritzky:
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. 49(3): 634-646 (2009) - 2008
- [j41]Alan R. Katritzky, Dimitar A. Dobchev, Svetoslav H. Slavov, Mati Karelson:
Legitimate Utilization of Large Descriptor Pools for QSPR/QSAR Models. J. Chem. Inf. Model. 48(11): 2207-2213 (2008) - 2007
- [j40]Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson:
Rapid QSPR model development technique for prediction of vapor pressure of organic compounds. Comput. Chem. Eng. 31(9): 1123-1130 (2007) - [j39]Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson:
QSPR modeling of UV absorption intensities. J. Comput. Aided Mol. Des. 21(7): 371-377 (2007) - [j38]Alan R. Katritzky, Liliana M. Pacureanu, Dimitar A. Dobchev, Mati Karelson:
QSPR Study of Critical Micelle Concentration of Anionic Surfactants Using Computational Molecular Descriptors. J. Chem. Inf. Model. 47(3): 782-793 (2007) - 2006
- [j37]Mati Karelson, Dimitar A. Dobchev, Oleksandr V. Kulshyn, Alan R. Katritzky:
Neural Networks Convergence Using Physicochemical Data. J. Chem. Inf. Model. 46(5): 1891-1897 (2006) - 2005
- [j36]Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers:
Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program [J. Chem. Inf. Comput. Sci. 42, 225-231 (2002)]. J. Chem. Inf. Model. 45(2): 533-534 (2005) - [j35]Alan R. Katritzky, Indrek Tulp, Dan C. Fara, Antonino Lauria, Uko Maran, William E. Acree Jr.:
A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents. J. Chem. Inf. Model. 45(4): 913-923 (2005) - 2004
- [j34]Alan R. Katritzky, Kaido Tämm, Minati Kuanar, Dan C. Fara, Alexander A. Oliferenko, Polina V. Oliferenko, Jonathan G. Huddleston, Robin D. Rogers:
Aqueous Biphasic Systems. Partitioning of Organic Molecules: A QSPR Treatment. J. Chem. Inf. Model. 44(1): 136-142 (2004) - [j33]Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek:
Quantitative Structure-Property Relationship Modeling of beta-Cyclodextrin Complexation Free Energies. J. Chem. Inf. Model. 44(2): 529-541 (2004) - [j32]Alexander A. Oliferenko, Polina V. Oliferenko, Jonathan G. Huddleston, Robin D. Rogers, Vladimir A. Palyulin, Nikolai S. Zefirov, Alan R. Katritzky:
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. 44(3): 1042-1055 (2004) - [j31]Alexandre Varnek, Denis Fourches, Vitaly P. Solov'ev, Vladimir E. Baulin, Alexander N. Turanov, Vasili K. Karandashev, Dan C. Fara, Alan R. Katritzky:
"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. 44(4): 1365-1382 (2004) - 2003
- [j30]Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, Ruslan Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, William E. Acree Jr.:
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. 43(6): 1794-1805 (2003) - [j29]Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, Ruslan Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, William E. Acree Jr.:
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. 43(6): 1806-1814 (2003) - 2002
- [j28]Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, Ritu Jain, Mati Karelson, Ann E. Visser, Robin D. Rogers:
QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids. J. Chem. Inf. Comput. Sci. 42(1): 71-74 (2002) - [j27]Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers:
Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program. J. Chem. Inf. Comput. Sci. 42(2): 225-231 (2002) - [j26]William L. Fitch, Malcolm McGregor, Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, Mati Karelson:
Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships. J. Chem. Inf. Comput. Sci. 42(4): 830-840 (2002) - [j25]Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Sergey Denisenko:
The Chemical Inventory System of the Center for Heterocyclic Compounds, University of Florida. J. Chem. Inf. Comput. Sci. 42(5): 1281-1282 (2002) - 2001
- [j24]Frederick Ignatz-Hoover, Ruslan Petrukhin, Mati Karelson, Alan R. Katritzky:
QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene. J. Chem. Inf. Comput. Sci. 41(2): 295-299 (2001) - [j23]Alan R. Katritzky, Douglas B. Tatham, Uko Maran:
Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures. J. Chem. Inf. Comput. Sci. 41(2): 358-363 (2001) - [j22]Alan R. Katritzky, Subbu Perumal, Ruslan Petrukhin, Erich Kleinpeter:
CODESSA-Based Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities. J. Chem. Inf. Comput. Sci. 41(3): 569-574 (2001) - [j21]Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati Karelson, Uko Maran:
Interpretation of Quantitative Structure-Property and -Activity Relationships. J. Chem. Inf. Comput. Sci. 41(3): 679-685 (2001) - [j20]Alan R. Katritzky, Douglas B. Tatham, Uko Maran:
Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships. J. Chem. Inf. Comput. Sci. 41(5): 1162-1176 (2001) - [j19]Alan R. Katritzky, Ruslan Petrukhin, Ritu Jain, Mati Karelson:
QSPR Analysis of Flash Points. J. Chem. Inf. Comput. Sci. 41(6): 1521-1530 (2001)
1990 – 1999
- 1999
- [j18]Bono Lui, Nenad Trinajstic, Sulev Sild, Mati Karelson, Alan R. Katritzky:
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors. J. Chem. Inf. Comput. Sci. 39(3): 610-621 (1999) - [j17]Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Sulev Sild, Mati Karelson:
QSPR Treatment of Solvent Scales. J. Chem. Inf. Comput. Sci. 39(4): 684-691 (1999) - [j16]Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Mati Karelson:
A Unified Treatment of Solvent Properties. J. Chem. Inf. Comput. Sci. 39(4): 692-698 (1999) - 1998
- [j15]Alan R. Katritzky, Victor S. Lobanov, Mati Karelson:
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship. J. Chem. Inf. Comput. Sci. 38(1): 28-41 (1998) - [j14]Paul D. T. Huibers, Alan R. Katritzky:
Correlation of the Aqueous Solubility of Hydrocarbons and Halogenated Hydrocarbons with Molecular Structure. J. Chem. Inf. Comput. Sci. 38(2): 283-292 (1998) - [j13]Alan R. Katritzky, Lan Mu, Mati Karelson:
Relationships of Critical Temperatures to Calculated Molecular Properties. J. Chem. Inf. Comput. Sci. 38(2): 293-299 (1998) - [j12]Alan R. Katritzky, Sulev Sild, Victor S. Lobanov, Mati Karelson:
Quantitative Structure-Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers. J. Chem. Inf. Comput. Sci. 38(2): 300-304 (1998) - [j11]Alan R. Katritzky, Yilin Wang, Sulev Sild, Tarmo Tamm, Mati Karelson:
QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients. J. Chem. Inf. Comput. Sci. 38(4): 720-725 (1998) - [j10]Alan R. Katritzky, Sulev Sild, Mati Karelson:
General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds. J. Chem. Inf. Comput. Sci. 38(5): 840-844 (1998) - [j9]Alan R. Katritzky, Sulev Sild, Mati Karelson:
Correlation and Prediction of the Refractive Indices of Polymers by QSPR. J. Chem. Inf. Comput. Sci. 38(6): 1171-1176 (1998) - 1997
- [j8]Alan R. Katritzky, Lan Mu, Mati Karelson:
QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale. J. Chem. Inf. Comput. Sci. 37(4): 756-761 (1997) - [j7]Alan R. Katritzky, Uko Maran, Mati Karelson, Victor S. Lobanov:
Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach. J. Chem. Inf. Comput. Sci. 37(5): 913-919 (1997) - 1996
- [j6]Alan R. Katritzky, Peter Rachwal, Kam Wah Law, Mati Karelson, Victor S. Lobanov:
Prediction of Polymer Glass Transition Temperatures Using a General Quantitative Structure-Property Relationship Treatment. J. Chem. Inf. Comput. Sci. 36(4): 879-884 (1996) - [j5]Alan R. Katritzky, Lan Mu, Mati Karelson:
A QSPR Study of the Solubility of Gases and Vapors in Water. J. Chem. Inf. Comput. Sci. 36(6): 1162-1168 (1996) - 1993
- [j4]Miroslaw Szafran, Mati Karelson, Alan R. Katritzky, Jacek Koput, Michael C. Zerner:
Reconsideration of solvent effects calculated by semiempirical quantum chemical methods. J. Comput. Chem. 14(3): 371-377 (1993) - [j3]Ekaterina Gordeeva, Alan R. Katritzky, Vladimir V. Shcherbukhin, Nikolai S. Zefirov:
Rapid conversion of molecular graphs to three-dimensional representation using the MOLGEO program. J. Chem. Inf. Comput. Sci. 33(1): 102-111 (1993) - [j2]Alan R. Katritzky, Ekaterina Gordeeva:
Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research. J. Chem. Inf. Comput. Sci. 33(6): 835-857 (1993) - [j1]Alan R. Katritzky, Stephen J. Cato, James A. Deyrup:
Comparison of the scope, timeliness and quality of chemical abstracts from VINITI and CAS. J. Inf. Sci. 19(3): 199-210 (1993)
Coauthor Index
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