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Mati Karelson
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2000 – 2009
- 2009
- [j39]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): 321-332 (2009) - 2008
- [j38]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): 2207-2213 (2008) - 2007
- [j37]Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson:
Structure-based calculation of drug efficiency indices. Bioinform. 23(20): 2678-2685 (2007) - [j36]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): 1123-1130 (2007) - [j35]Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson:
QSPR modeling of UV absorption intensities. J. Comput. Aided Mol. Des. 21(7): 371-377 (2007) - [j34]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): 782-793 (2007) - 2006
- [j33]Sulev Sild, Uko Maran, Andre Lomaka, Mati Karelson:
Open Computing Grid for Molecular Science and Engineering. J. Chem. Inf. Model. 46(3): 953-959 (2006) - [j32]Mati Karelson, Dimitar A. Dobchev, Oleksandr V. Kulshyn, Alan R. Katritzky:
Neural Networks Convergence Using Physicochemical Data. J. Chem. Inf. Model. 46(5): 1891-1897 (2006) - 2005
- [j31]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): 94-105 (2005) - [j30]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, 225-231 (2002)]. J. Chem. Inf. Model. 45(2): 533-534 (2005) - 2004
- [j29]Alan R. Katritzky, Dan C. Fara, Hongfang Yang, Mati Karelson, Takahiro Suzuki, Vitaly P. Solov'ev, Alexandre Varnek:
Quantitative Structure-Property Relationship Modeling of beta-Cyclodextrin Complexation Free Energies. J. Chem. Inf. Model. 44(2): 529-541 (2004) - [c1]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: 775-779 - 2003
- [j28]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): 1576-1583 (2003) - 2002
- [j27]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): 237-243 (2002) - [j26]Katrin Sak, Jaak Järv, Mati Karelson:
'Strain Effect' Descriptors for ATP and ADP Derivatives with Modified Phosphate Groups. Comput. Chem. 26(4): 341-346 (2002) - [j25]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): 71-74 (2002) - [j24]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): 225-231 (2002) - [j23]Sulev Sild, Mati Karelson:
A General QSPR Treatment for Dielectric Constants of Organic Compounds. J. Chem. Inf. Comput. Sci. 42(2): 360-367 (2002) - [j22]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): 830-840 (2002) - [j21]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): 1450-1459 (2002) - 2001
- [j20]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): 171-176 (2001) - [j19]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): 295-299 (2001) - [j18]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): 679-685 (2001) - [j17]Alan R. Katritzky, Ruslan Petrukhin, Ritu Jain, Mati Karelson:
QSPR Analysis of Flash Points. J. Chem. Inf. Comput. Sci. 41(6): 1521-1530 (2001) - 2000
- [j16]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): 1062-1071 (2000)
1990 – 1999
- 1999
- [j15]Mati Karelson, Anti Perkson:
QSPR Prediction of Densities of Organic Liquids. Comput. Chem. 23(1): 49-59 (1999) - [j14]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): 610-621 (1999) - [j13]Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Sulev Sild, Mati Karelson:
QSPR Treatment of Solvent Scales. J. Chem. Inf. Comput. Sci. 39(4): 684-691 (1999) - [j12]Alan R. Katritzky, Tarmo Tamm, Yilin Wang, Mati Karelson:
A Unified Treatment of Solvent Properties. J. Chem. Inf. Comput. Sci. 39(4): 692-698 (1999) - 1998
- [j11]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): 28-41 (1998) - [j10]Alan R. Katritzky, Lan Mu, Mati Karelson:
Relationships of Critical Temperatures to Calculated Molecular Properties. J. Chem. Inf. Comput. Sci. 38(2): 293-299 (1998) - [j9]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): 300-304 (1998) - [j8]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): 720-725 (1998) - [j7]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): 840-844 (1998) - [j6]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): 1171-1176 (1998) - 1997
- [j5]Alan R. Katritzky, Lan Mu, Mati Karelson:
QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale. J. Chem. Inf. Comput. Sci. 37(4): 756-761 (1997) - [j4]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): 913-919 (1997) - 1996
- [j3]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): 879-884 (1996) - [j2]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): 1162-1168 (1996) - 1993
- [j1]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): 371-377 (1993)
Coauthor Index
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