Mati Karelson

Publication Activity (10 Years)

Years Active: 1993-2009
Publications (10 Years): 0

Publications

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) (2009)
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) (2008)
Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson
QSPR modeling of UV absorption intensities. J. Comput. Aided Mol. Des. 21 (7) (2007)
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) (2007)
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) (2007)
Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson
Structure-based calculation of drug efficiency indices. Bioinform. 23 (20) (2007)
Sulev Sild, Uko Maran, Andre Lomaka, Mati Karelson
Open Computing Grid for Molecular Science and Engineering. J. Chem. Inf. Model. 46 (3) (2006)
Mati Karelson, Dimitar A. Dobchev, Oleksandr V. Kulshyn, Alan R. Katritzky
Neural Networks Convergence Using Physicochemical Data. J. Chem. Inf. Model. 46 (5) (2006)
Iiris Kahn, Dan C. Fara, Mati Karelson, Uko Maran, Patrik L. Andersson
QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants. J. Chem. Inf. Model. 45 (1) (2005)
Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers
, 225-231 (2002)]. J. Chem. Inf. Model. 45 (2) (2005)
Paolo Mazzatorta, Emilio Benfenati, Bernd Schuller, Mathilde Romberg, Damian McCourt, Werner Dubitzky, Sulev Sild, Mati Karelson, Ákos Papp, István Bágyi, Ferenc Darvas
OpenMolGRIND: Molecular Science and Engineering in a Grid Context. PDPTA (2004)
Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek
-Cyclodextrin Complexation Free Energies. J. Chem. Inf. Model. 44 (2) (2004)
Csaba Hetényi, Uko Maran, Mati Karelson
A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins. J. Chem. Inf. Comput. Sci. 43 (5) (2003)
Katrin Sak, Jaak Järv, Mati Karelson
'Strain Effect' Descriptors for ATP and ADP Derivatives with Modified Phosphate Groups. Comput. Chem. 26 (4) (2002)
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) (2002)
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) (2002)
Rein Hiob, Mati Karelson
QSPR Models Derived for the Kinetic Data of the Gas-phase Homolysis of the Carbon-methyl Bond. Comput. Chem. 26 (3) (2002)
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) (2002)
Sulev Sild, Mati Karelson
A General QSPR Treatment for Dielectric Constants of Organic Compounds. J. Chem. Inf. Comput. Sci. 42 (2) (2002)
Patrik L. Andersson, Uko Maran, Dan C. Fara, Mati Karelson, Joop L. M. Hermens
General and Class Specific Models for Prediction of Soil Sorption Using Various Physicochemical Descriptors. J. Chem. Inf. Comput. Sci. 42 (6) (2002)
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) (2001)
Jaan Leis, Mati Karelson
A QSPR Model for the Prediction of the Gas-phase Free Energies of Activation of Rotation Around the N---C(O) Bond. Comput. Chem. 25 (2) (2001)
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) (2001)
Alan R. Katritzky, Ruslan Petrukhin, Ritu Jain, Mati Karelson
QSPR Analysis of Flash Points. J. Chem. Inf. Comput. Sci. 41 (6) (2001)
Rein Hiob, Mati Karelson
Quantitative Relationship between Rate Constants of the Gas-Phase Homolysis of C-X Bonds and Molecular Descriptors. J. Chem. Inf. Comput. Sci. 40 (4) (2000)
Mati Karelson, Anti Perkson
QSPR Prediction of Densities of Organic Liquids. Comput. Chem. 23 (1) (1999)
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) (1999)
Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Sulev Sild, Mati Karelson
QSPR Treatment of Solvent Scales. J. Chem. Inf. Comput. Sci. 39 (4) (1999)
Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Mati Karelson
A Unified Treatment of Solvent Properties. J. Chem. Inf. Comput. Sci. 39 (4) (1999)
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) (1998)
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) (1998)
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) (1998)
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) (1998)
Alan R. Katritzky, Lan Mu, Mati Karelson
Relationships of Critical Temperatures to Calculated Molecular Properties. J. Chem. Inf. Comput. Sci. 38 (2) (1998)
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) (1998)
Alan R. Katritzky, Lan Mu, Mati Karelson
QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale. J. Chem. Inf. Comput. Sci. 37 (4) (1997)
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) (1997)
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) (1996)
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) (1996)
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) (1993)