Quantum-chemical descriptors in QSAR/QSPR studies M Karelson, VS Lobanov, AR Katritzky Chemical reviews 96 (3), 1027-1044, 1996 | 2133 | 1996 |
Molecular Descriptors in QSAR/QSPR M Karelson Wiley-Interscience, 2000 | 1033 | 2000 |
QSPR: the correlation and quantitative prediction of chemical and physical properties from structure AR Katritzky, VS Lobanov, M Karelson Chemical Society Reviews 24 (4), 279-287, 1995 | 656 | 1995 |
Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction AR Katritzky, M Kuanar, S Slavov, CD Hall, M Karelson, I Kahn, ... Chemical reviews 110 (10), 5714-5789, 2010 | 648 | 2010 |
Quantitative measures of solvent polarity AR Katritzky, DC Fara, H Yang, K Tämm, T Tamm, M Karelson Chemical reviews 104 (1), 175-198, 2004 | 484 | 2004 |
Theoretical treatment of solvent effects on electronic spectroscopy MM Karelson, MC Zerner The Journal of Physical Chemistry 96 (17), 6949-6957, 1992 | 372 | 1992 |
Prediction of critical micelle concentration using a quantitative structure− property relationship approach. 1. Nonionic surfactants PDT Huibers, VS Lobanov, AR Katritzky, DO Shah, M Karelson Langmuir 12 (6), 1462-1470, 1996 | 348* | 1996 |
Structurally diverse quantitative structure− property relationship correlations of technologically relevant physical properties AR Katritzky, U Maran, VS Lobanov, M Karelson Journal of chemical information and computer sciences 40 (1), 1-18, 2000 | 347 | 2000 |
Aromaticity as a quantitative concept. 7. Aromaticity reaffirmed as a multidimensional characteristic AR Katritzky, M Karelson, S Sild, TM Krygowski, K Jug The Journal of Organic Chemistry 63 (15), 5228-5231, 1998 | 344 | 1998 |
Correlation of boiling points with molecular structure. 1. A training set of 298 diverse organics and a test set of 9 simple inorganics AR Katritzky, L Mu, VS Lobanov, M Karelson The Journal of Physical Chemistry 100 (24), 10400-10407, 1996 | 324 | 1996 |
Correlation of the melting points of potential ionic liquids (imidazolium bromides and benzimidazolium bromides) using the CODESSA program AR Katritzky, R Jain, A Lomaka, R Petrukhin, M Karelson, AE Visser, ... Journal of chemical information and computer sciences 42 (2), 225-231, 2002 | 274 | 2002 |
QSPR correlation of the melting point for pyridinium bromides, potential ionic liquids AR Katritzky, A Lomaka, R Petrukhin, R Jain, M Karelson, AE Visser, ... Journal of chemical information and computer sciences 42 (1), 71-74, 2002 | 244 | 2002 |
Prediction of gas chromatographic retention times and response factors using a general qualitative structure-property relationships treatment AR Katritzky, ES Ignatchenko, RA Barcock, VS Lobanov, M Karelson Analytical Chemistry 66 (11), 1799-1807, 1994 | 239 | 1994 |
Perspective on the relationship between melting points and chemical structure AR Katritzky, R Jain, A Lomaka, R Petrukhin, U Maran, M Karelson Crystal Growth & Design 1 (4), 261-265, 2001 | 235 | 2001 |
QSPR studies on vapor pressure, aqueous solubility, and the prediction of water− air partition coefficients AR Katritzky, Y Wang, S Sild, T Tamm, M Karelson Journal of Chemical Information and Computer Sciences 38 (4), 720-725, 1998 | 214 | 1998 |
CODESSA: reference manual AR Katritzky, VS Lobanov, M Karelson University of Florida, Gainesville, FL, 1994 | 206 | 1994 |
QSPR analysis of flash points AR Katritzky, R Petrukhin, R Jain, M Karelson Journal of chemical information and computer sciences 41 (6), 1521-1530, 2001 | 199 | 2001 |
Correlation and Prediction of the Refractive Indices of Polymers by QSPR AR Katritzky, S Sild, M Karelson Journal of chemical information and computer sciences 38 (6), 1171-1176, 1998 | 194 | 1998 |
CODESSA Comprehensive Descriptors for Structural and Statistical Analysis AR Katritzky, VS Lobanov, M Karelson Reference manual, 1994 | 187 | 1994 |
AM1 calculations of reaction field effects on the tautomeric equilibria of nucleic acid pyrimidine and purine bases and their 1-methyl analogs AR Katritzky, M Karelson Journal of the American Chemical Society 113 (5), 1561-1566, 1991 | 171 | 1991 |