Mati Karelson

According to our database, Mati Karelson authored at least 40 papers between 1993 and 2009.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2009

QSPR study of the first and second critical micelle concentrations of cationic surfactants.

Alan R. Katritzky, Liliana M. Pacureanu, Svetoslav H. Slavov, Dimitar A. Dobchev, Dinesh O. Shah, Mati Karelson

Comput. Chem. Eng., 2009

2008

Legitimate Utilization of Large Descriptor Pools for QSPR/QSAR Models.

Alan R. Katritzky, Dimitar A. Dobchev, Svetoslav H. Slavov, Mati Karelson

J. Chem. Inf. Model., 2008

2007

QSPR Study of Critical Micelle Concentration of Anionic Surfactants Using Computational Molecular Descriptors.

Alan R. Katritzky, Liliana M. Pacureanu, Dimitar A. Dobchev, Mati Karelson

J. Chem. Inf. Model., 2007

QSPR modeling of UV absorption intensities.

Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson

J. Comput. Aided Mol. Des., 2007

Rapid QSPR model development technique for prediction of vapor pressure of organic compounds.

Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson

Comput. Chem. Eng., 2007

Structure-based calculation of drug efficiency indices.

Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson

Bioinform., 2007

2006

Open Computing Grid for Molecular Science and Engineering.

Sulev Sild, Uko Maran, Andre Lomaka, Mati Karelson

J. Chem. Inf. Model., 2006

Neural Networks Convergence Using Physicochemical Data.

Mati Karelson, Dimitar A. Dobchev, Oleksandr V. Kulshyn, Alan R. Katritzky

J. Chem. Inf. Model., 2006

2005

Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program [<i>J. Chem. Inf. Comput. Sci</i>. <i>42</i>, 225-231 (2002)].

Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers

J. Chem. Inf. Model., 2005

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants.

Iiris Kahn, Dan C. Fara, Mati Karelson, Uko Maran, Patrik L. Andersson

J. Chem. Inf. Model., 2005

2004

Quantitative Structure-Property Relationship Modeling of <i>beta</i>-Cyclodextrin Complexation Free Energies.

Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek

J. Chem. Inf. Model., 2004

OpenMolGRIND: Molecular Science and Engineering in a Grid Context.

Paolo Mazzatorta, Emilio Benfenati, Bernd Schuller, Mathilde Romberg, Damian McCourt, Werner Dubitzky, Sulev Sild, Mati Karelson, Ákos Papp, István Bágyi, Ferenc Darvas

Proceedings of the International Conference on Parallel and Distributed Processing Techniques and Applications, 2004

2003

A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.

Csaba Hetényi, Uko Maran, Mati Karelson

J. Chem. Inf. Comput. Sci., 2003

2002

A General QSPR Treatment for Dielectric Constants of Organic Compounds.

Sulev Sild, Mati Karelson

J. Chem. Inf. Comput. Sci., 2002

QSPR Correlation of the Melting Point for Pyridinium Bromides, Potential Ionic Liquids.

Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, Ritu Jain, Mati Karelson, Ann E. Visser, Robin D. Rogers

J. Chem. Inf. Comput. Sci., 2002

Correlation of the Melting Points of Potential Ionic Liquids (Imidazolium Bromides and Benzimidazolium Bromides) Using the CODESSA Program.

Alan R. Katritzky, Ritu Jain, Andre Lomaka, Ruslan Petrukhin, Mati Karelson, Ann E. Visser, Robin D. Rogers

J. Chem. Inf. Comput. Sci., 2002

Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships.

William L. Fitch, Malcolm McGregor, Alan R. Katritzky, Andre Lomaka, Ruslan Petrukhin, Mati Karelson

J. Chem. Inf. Comput. Sci., 2002

General and Class Specific Models for Prediction of Soil Sorption Using Various Physicochemical Descriptors.

Patrik L. Andersson, Uko Maran, Dan C. Fara, Mati Karelson, Joop L. M. Hermens

J. Chem. Inf. Comput. Sci., 2002

'Strain Effect' Descriptors for ATP and ADP Derivatives with Modified Phosphate Groups.

Katrin Sak, Jaak Järv, Mati Karelson

Comput. Chem., 2002

QSPR Models Derived for the Kinetic Data of the Gas-phase Homolysis of the Carbon-methyl Bond.

Rein Hiob, Mati Karelson

Comput. Chem., 2002

2001

Interpretation of Quantitative Structure-Property and -Activity Relationships.

Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati Karelson, Uko Maran

J. Chem. Inf. Comput. Sci., 2001

QSPR Analysis of Flash Points.

Alan R. Katritzky, Ruslan Petrukhin, Ritu Jain, Mati Karelson

J. Chem. Inf. Comput. Sci., 2001

QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene.

Frederick Ignatz-Hoover, Ruslan Petrukhin, Mati Karelson, Alan R. Katritzky

J. Chem. Inf. Comput. Sci., 2001

A QSPR Model for the Prediction of the Gas-phase Free Energies of Activation of Rotation Around the N---C(O) Bond.

Jaan Leis, Mati Karelson

Comput. Chem., 2001

2000

Quantitative Relationship between Rate Constants of the Gas-Phase Homolysis of C-X Bonds and Molecular Descriptors.

Rein Hiob, Mati Karelson

J. Chem. Inf. Comput. Sci., 2000

1999

A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors.

Bono Lui, Nenad Trinajstic, Sulev Sild, Mati Karelson, Alan R. Katritzky

J. Chem. Inf. Comput. Sci., 1999

QSPR Treatment of Solvent Scales.

Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Sulev Sild, Mati Karelson

J. Chem. Inf. Comput. Sci., 1999

A Unified Treatment of Solvent Properties.

Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Mati Karelson

J. Chem. Inf. Comput. Sci., 1999

QSPR Prediction of Densities of Organic Liquids.

Mati Karelson, Anti Perkson

Comput. Chem., 1999

1998

QSPR Studies on Vapor Pressure, Aqueous Solubility, and the Prediction of Water-Air Partition Coefficients.

Alan R. Katritzky, Yilin Wang, Sulev Sild, Tarmo Tamm, Mati Karelson

J. Chem. Inf. Comput. Sci., 1998

Quantitative Structure-Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers.

Alan R. Katritzky, Sulev Sild, Victor S. Lobanov, Mati Karelson

J. Chem. Inf. Comput. Sci., 1998

Correlation and Prediction of the Refractive Indices of Polymers by QSPR.

Alan R. Katritzky, Sulev Sild, Mati Karelson

J. Chem. Inf. Comput. Sci., 1998

General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds.

Alan R. Katritzky, Sulev Sild, Mati Karelson

J. Chem. Inf. Comput. Sci., 1998

Relationships of Critical Temperatures to Calculated Molecular Properties.

Alan R. Katritzky, Lan Mu, Mati Karelson

J. Chem. Inf. Comput. Sci., 1998

Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship.

Alan R. Katritzky, Victor S. Lobanov, Mati Karelson

J. Chem. Inf. Comput. Sci., 1998

1997

Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach.

Alan R. Katritzky, Uko Maran, Mati Karelson, Victor S. Lobanov

J. Chem. Inf. Comput. Sci., 1997

QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale.

Alan R. Katritzky, Lan Mu, Mati Karelson

J. Chem. Inf. Comput. Sci., 1997

1996

Prediction of Polymer Glass Transition Temperatures Using a General Quantitative Structure-Property Relationship Treatment.

Alan R. Katritzky, Peter Rachwal, Kam Wah Law, Mati Karelson, Victor S. Lobanov

J. Chem. Inf. Comput. Sci., 1996

A QSPR Study of the Solubility of Gases and Vapors in Water.

Alan R. Katritzky, Lan Mu, Mati Karelson

J. Chem. Inf. Comput. Sci., 1996

1993

Reconsideration of solvent effects calculated by semiempirical quantum chemical methods.

Miroslaw Szafran, Mati Karelson, Alan R. Katritzky, Jacek Koput, Michael C. Zerner

J. Comput. Chem., 1993