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Alan R. Katritzky :
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William L. Fitch , Malcolm McGregor , Alan R. Katritzky , Andre Lomaka , Ruslan Petrukhin , Mati Karelson Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2002, v:42, n:4, pp:830-840 [Journal ] Ekaterina Gordeeva , Alan R. Katritzky , Vladimir V. Shcherbukhin , Nikolai S. Zefirov Rapid conversion of molecular graphs to three-dimensional representation using the MOLGEO program. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1993, v:33, n:1, pp:102-111 [Journal ] Paul D. T. Huibers , Alan R. Katritzky Correlation of the Aqueous Solubility of Hydrocarbons and Halogenated Hydrocarbons with Molecular Structure. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1998, v:38, n:2, pp:283-292 [Journal ] Frederick Ignatz-Hoover , Ruslan Petrukhin , Mati Karelson , Alan R. Katritzky QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:2, pp:295-299 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2004, v:44, n:2, pp:529-541 [Journal ] Alan R. Katritzky , Ekaterina Gordeeva Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1993, v:33, n:6, pp:835-857 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2002, v:42, n:2, pp:225-231 [Journal ] 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)]. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:2, pp:533-534 [Journal ] Alan R. Katritzky , Victor S. Lobanov , Mati Karelson Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1998, v:38, n:1, pp:28-41 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2002, v:42, n:1, pp:71-74 [Journal ] Alan R. Katritzky , Lan Mu , Mati Karelson A QSPR Study of the Solubility of Gases and Vapors in Water. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1996, v:36, n:6, pp:1162-1168 [Journal ] Alan R. Katritzky , Lan Mu , Mati Karelson QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1997, v:37, n:4, pp:756-761 [Journal ] Alan R. Katritzky , Lan Mu , Mati Karelson Relationships of Critical Temperatures to Calculated Molecular Properties. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1998, v:38, n:2, pp:293-299 [Journal ] Alan R. Katritzky , Uko Maran , Mati Karelson , Victor S. Lobanov Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1997, v:37, n:5, pp:913-919 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:6, pp:1794-1805 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2003, v:43, n:6, pp:1806-1814 [Journal ] Alan R. Katritzky , Ruslan Petrukhin , Ritu Jain , Mati Karelson QSPR Analysis of Flash Points. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:6, pp:1521-1530 [Journal ] Alan R. Katritzky , Subbu Perumal , Ruslan Petrukhin , Erich Kleinpeter CODESSA-Based Theoretical QSPR Model for Hydantoin HPLC-RT Lipophilicities. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:569-574 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:3, pp:679-685 [Journal ] Alan R. Katritzky , Ruslan Petrukhin , Douglas B. Tatham , Sergey Denisenko The Chemical Inventory System of the Center for Heterocyclic Compounds, University of Florida. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2002, v:42, n:5, pp:1281-1282 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1996, v:36, n:4, pp:879-884 [Journal ] Alan R. Katritzky , Sulev Sild , Mati Karelson General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1998, v:38, n:5, pp:840-844 [Journal ] Alan R. Katritzky , Sulev Sild , Mati Karelson Correlation and Prediction of the Refractive Indices of Polymers by QSPR. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1998, v:38, n:6, pp:1171-1176 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1998, v:38, n:2, pp:300-304 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2005, v:45, n:4, pp:913-923 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2004, v:44, n:1, pp:136-142 [Journal ] Alan R. Katritzky , Douglas B. Tatham , Uko Maran Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:2, pp:358-363 [Journal ] Alan R. Katritzky , Douglas B. Tatham , Uko Maran Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 2001, v:41, n:5, pp:1162-1176 [Journal ] Alan R. Katritzky , Tarmo Tamm , Yilin Wang , Mati Karelson A Unified Treatment of Solvent Properties. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1999, v:39, n:4, pp:692-698 [Journal ] Alan R. Katritzky , Tarmo Tamm , Yilin Wang , Sulev Sild , Mati Karelson QSPR Treatment of Solvent Scales. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1999, v:39, n:4, pp:684-691 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1998, v:38, n:4, pp:720-725 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Computer Sciences, 1999, v:39, n:3, pp:610-621 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2004, v:44, n:3, pp:1042-1055 [Journal ] 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. [Citation Graph (0, 0)][DBLP ] Journal of Chemical Information and Modeling, 2004, v:44, n:4, pp:1365-1382 [Journal ] Search in 0.002secs, Finished in 0.302secs