Mati Karelson

40 papers Misc 1Journal 39
YearRankTypeTitle / Venue / Authors
2009 J jnl
QSPR study of the first and second critical micelle concentrations of cationic surfactants.
Comput. Chem. Eng.
Alan R. Katritzky, Liliana M. Pacureanu, Svetoslav H. Slavov, Dimitar A. Dobchev, Dinesh O. Shah, Mati Karelson
2008 J jnl
Legitimate Utilization of Large Descriptor Pools for QSPR/QSAR Models.
J. Chem. Inf. Model.
Alan R. Katritzky, Dimitar A. Dobchev, Svetoslav H. Slavov, Mati Karelson
2007 J jnl
QSPR Study of Critical Micelle Concentration of Anionic Surfactants Using Computational Molecular Descriptors.
J. Chem. Inf. Model.
Alan R. Katritzky, Liliana M. Pacureanu, Dimitar A. Dobchev, Mati Karelson
2007 J jnl
QSPR modeling of UV absorption intensities.
J. Comput. Aided Mol. Des.
Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson
2007 J jnl
Rapid QSPR model development technique for prediction of vapor pressure of organic compounds.
Comput. Chem. Eng.
Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson
2007 J jnl
Structure-based calculation of drug efficiency indices.
Bioinform.
Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson
2006 J jnl
Neural Networks Convergence Using Physicochemical Data.
J. Chem. Inf. Model.
Mati Karelson, Dimitar A. Dobchev, Oleksandr V. Kulshyn, Alan R. Katritzky
2006 J jnl
Open Computing Grid for Molecular Science and Engineering.
J. Chem. Inf. Model.
Sulev Sild, Uko Maran, Andre Lomaka, Mati Karelson
2005 J jnl
Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program [
J. Chem. Inf. Model.
Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers
2005 J jnl
QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants.
J. Chem. Inf. Model.
Iiris Kahn, Dan C. Fara, Mati Karelson, Uko Maran, Patrik L. Andersson
2004 Misc conf
OpenMolGRIND: Molecular Science and Engineering in a Grid Context.
PDPTA
Paolo Mazzatorta, Emilio Benfenati, Bernd Schuller, Mathilde Romberg, Damian McCourt, Werner Dubitzky, Sulev Sild, Mati Karelson, Ákos Papp, István Bágyi, Ferenc Darvas
2004 J jnl
Quantitative Structure-Property Relationship Modeling of
J. Chem. Inf. Model.
Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek
2003 J jnl
A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.
J. Chem. Inf. Comput. Sci.
Csaba Hetényi, Uko Maran, Mati Karelson
2002 J jnl
'Strain Effect' Descriptors for ATP and ADP Derivatives with Modified Phosphate Groups.
Comput. Chem.
Katrin Sak, Jaak Järv, Mati Karelson
2002 J jnl
A General QSPR Treatment for Dielectric Constants of Organic Compounds.
J. Chem. Inf. Comput. Sci.
Sulev Sild, Mati Karelson
2002 J jnl
Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers
2002 J jnl
General and Class Specific Models for Prediction of Soil Sorption Using Various Physicochemical Descriptors.
J. Chem. Inf. Comput. Sci.
Patrik L. Andersson, Uko Maran, Dan C. Fara, Mati Karelson, Joop L. M. Hermens
2002 J jnl
Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships.
J. Chem. Inf. Comput. Sci.
William L. Fitch, Malcolm McGregor, Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, Mati Karelson
2002 J jnl
QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, Ritu Jain, Mati Karelson, Ann E. Visser, Robin D. Rogers
2002 J jnl
QSPR Models Derived for the Kinetic Data of the Gas-phase Homolysis of the Carbon-methyl Bond.
Comput. Chem.
Rein Hiob, Mati Karelson
2001 J jnl
A QSPR Model for the Prediction of the Gas-phase Free Energies of Activation of Rotation Around the N---C(O) Bond.
Comput. Chem.
Jaan Leis, Mati Karelson
2001 J jnl
Interpretation of Quantitative Structure-Property and -Activity Relationships.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati Karelson, Uko Maran
2001 J jnl
QSPR Analysis of Flash Points.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Ruslan Petrukhin, Ritu Jain, Mati Karelson
2001 J jnl
QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene.
J. Chem. Inf. Comput. Sci.
Frederick Ignatz-Hoover, Ruslan Petrukhin, Mati Karelson, Alan R. Katritzky
2000 J jnl
Quantitative Relationship between Rate Constants of the Gas-Phase Homolysis of C-X Bonds and Molecular Descriptors.
J. Chem. Inf. Comput. Sci.
Rein Hiob, Mati Karelson
1999 J jnl
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors.
J. Chem. Inf. Comput. Sci.
Bono Lui, Nenad Trinajstic, Sulev Sild, Mati Karelson, Alan R. Katritzky
1999 J jnl
A Unified Treatment of Solvent Properties.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Mati Karelson
1999 J jnl
QSPR Prediction of Densities of Organic Liquids.
Comput. Chem.
Mati Karelson, Anti Perkson
1999 J jnl
QSPR Treatment of Solvent Scales.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Sulev Sild, Mati Karelson
1998 J jnl
Correlation and Prediction of the Refractive Indices of Polymers by QSPR.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Sulev Sild, Mati Karelson
1998 J jnl
General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Sulev Sild, Mati Karelson
1998 J jnl
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Victor S. Lobanov, Mati Karelson
1998 J jnl
QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Yilin Wang, Sulev Sild, Tarmo Tamm, Mati Karelson
1998 J jnl
Quantitative Structure-Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Sulev Sild, Victor S. Lobanov, Mati Karelson
1998 J jnl
Relationships of Critical Temperatures to Calculated Molecular Properties.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Lan Mu, Mati Karelson
1997 J jnl
Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Uko Maran, Mati Karelson, Victor S. Lobanov
1997 J jnl
QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Lan Mu, Mati Karelson
1996 J jnl
A QSPR Study of the Solubility of Gases and Vapors in Water.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Lan Mu, Mati Karelson
1996 J jnl
Prediction of Polymer Glass Transition Temperatures Using a General Quantitative Structure-Property Relationship Treatment.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Peter Rachwal, Kam Wah Law, Mati Karelson, Victor S. Lobanov
1993 J jnl
Reconsideration of solvent effects calculated by semiempirical quantum chemical methods.
J. Comput. Chem.
Miroslaw Szafran, Mati Karelson, Alan R. Katritzky, Jacek Koput, Michael C. Zerner