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)

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)

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)

QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale. - Alan R. Katritzky; Lan Mu; Mati Karelson (J. Chem. Inf. Comput. Sci., 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)

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)

Relationships of Critical Temperatures to Calculated Molecular Properties. - Alan R. Katritzky; Lan Mu; 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)

Correlation and Prediction of the Refractive Indices of Polymers by QSPR. - Alan R. Katritzky; Sulev Sild; 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)

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)

QSPR Prediction of Densities of Organic Liquids. - Mati Karelson; Anti Perkson (Comput. Chem., 1999)

A Unified Treatment of Solvent Properties. - Alan R. Katritzky; Tarmo Tamm; Yilin Wang; Mati Karelson (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 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)

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)

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)

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)

QSPR Analysis of Flash Points. - Alan R. Katritzky; Ruslan Petrukhin; Ritu Jain; Mati Karelson (J. Chem. Inf. Comput. Sci., 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 Models Derived for the Kinetic Data of the Gas-phase Homolysis of the Carbon-methyl Bond. - Rein Hiob; Mati Karelson (Comput. Chem., 2002)

'Strain Effect' Descriptors for ATP and ADP Derivatives with Modified Phosphate Groups. - Katrin Sak; Jaak Järv; Mati Karelson (Comput. Chem., 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)

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)

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)

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)

A General QSPR Treatment for Dielectric Constants of Organic Compounds. - Sulev Sild; Mati Karelson (J. Chem. Inf. Comput. Sci., 2002)

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)

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 (PDPTA, 2004)

Quantitative Structure-Property Relationship Modeling of beta-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)

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)

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)]. - Alan R. Katritzky; Ritu Jain; Andre Lomaka; Ruslan Petrukhin; Mati Karelson; Ann E. Visser; Robin D. Rogers (J. Chem. Inf. Model., 2005)

Neural Networks Convergence Using Physicochemical Data. - Mati Karelson; Dimitar A. Dobchev; Oleksandr V. Kulshyn; Alan R. Katritzky (J. Chem. Inf. Model., 2006)

Open Computing Grid for Molecular Science and Engineering. - Sulev Sild; Uko Maran; Andre Lomaka; Mati Karelson (J. Chem. Inf. Model., 2006)

Structure-based calculation of drug efficiency indices. - Csaba Hetényi; Uko Maran; Alfonso T. García-Sosa; Mati Karelson (Bioinform., 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)

QSPR modeling of UV absorption intensities. - Alan R. Katritzky; Svetoslav H. Slavov; Dimitar A. Dobchev; Mati Karelson (J. Comput. Aided Mol. Des., 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)

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)

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)