2007 |
33 | EE | Csaba Hetényi,
Uko Maran,
Alfonso T. García-Sosa,
Mati Karelson:
Structure-based calculation of drug efficiency indices.
Bioinformatics 23(20): 2678-2685 (2007) |
2006 |
32 | EE | Sulev Sild,
Uko Maran,
Andre Lomaka,
Mati Karelson:
Open Computing Grid for Molecular Science and Engineering.
Journal of Chemical Information and Modeling 46(3): 953-959 (2006) |
2005 |
31 | EE | Iiris Kahn,
Dan C. Fara,
Mati Karelson,
Uko Maran,
Patrik L. Andersson:
QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants.
Journal of Chemical Information and Modeling 45(1): 94-105 (2005) |
30 | EE | 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)].
Journal of Chemical Information and Modeling 45(2): 533-534 (2005) |
2004 |
29 | | 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 |
28 | EE | 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.
Journal of Chemical Information and Modeling 44(2): 529-541 (2004) |
2003 |
27 | EE | Csaba Hetényi,
Uko Maran,
Mati Karelson:
A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.
Journal of Chemical Information and Computer Sciences 43(5): 1576-1583 (2003) |
2002 |
26 | EE | Rein Hiob,
Mati Karelson:
QSPR Models Derived for the Kinetic Data of the Gas-phase Homolysis of the Carbon-methyl Bond.
Computers & Chemistry 26(3): 237-243 (2002) |
25 | EE | Katrin Sak,
Jaak Järv,
Mati Karelson:
`Strain Effect' Descriptors for ATP and ADP Derivatives with Modified Phosphate Groups.
Computers & Chemistry 26(4): 341-346 (2002) |
24 | EE | 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.
Journal of Chemical Information and Computer Sciences 42(1): 71-74 (2002) |
23 | EE | 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.
Journal of Chemical Information and Computer Sciences 42(2): 225-231 (2002) |
22 | EE | Sulev Sild,
Mati Karelson:
A General QSPR Treatment for Dielectric Constants of Organic Compounds.
Journal of Chemical Information and Computer Sciences 42(2): 360-367 (2002) |
21 | EE | William L. Fitch,
Malcolm McGregor,
Alan R. Katritzky,
Andre Lomaka,
Ruslan Petrukhin,
Mati Karelson:
Prediction of Ultraviolet Spectral Absorbance Using Quantitative Structure-Property Relationships.
Journal of Chemical Information and Computer Sciences 42(4): 830-840 (2002) |
20 | EE | 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.
Journal of Chemical Information and Computer Sciences 42(6): 1450-1459 (2002) |
2001 |
19 | EE | 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.
Computers & Chemistry 25(2): 171-176 (2001) |
18 | EE | Frederick Ignatz-Hoover,
Ruslan Petrukhin,
Mati Karelson,
Alan R. Katritzky:
QSRR Correlation of Free-Radical Polymerization Chain-Transfer Constants for Styrene.
Journal of Chemical Information and Computer Sciences 41(2): 295-299 (2001) |
17 | EE | 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.
Journal of Chemical Information and Computer Sciences 41(3): 679-685 (2001) |
16 | EE | Alan R. Katritzky,
Ruslan Petrukhin,
Ritu Jain,
Mati Karelson:
QSPR Analysis of Flash Points.
Journal of Chemical Information and Computer Sciences 41(6): 1521-1530 (2001) |
2000 |
15 | EE | Rein Hiob,
Mati Karelson:
Quantitative Relationship between Rate Constants of the Gas-Phase Homolysis of C-X Bonds and Molecular Descriptors.
Journal of Chemical Information and Computer Sciences 40(4): 1062-1071 (2000) |
1999 |
14 | EE | Mati Karelson,
Anti Perkson:
QSPR Prediction of Densities of Organic Liquids.
Computers & Chemistry 23(1): 49-59 (1999) |
13 | EE | 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.
Journal of Chemical Information and Computer Sciences 39(3): 610-621 (1999) |
12 | EE | Alan R. Katritzky,
Tarmo Tamm,
Yilin Wang,
Sulev Sild,
Mati Karelson:
QSPR Treatment of Solvent Scales.
Journal of Chemical Information and Computer Sciences 39(4): 684-691 (1999) |
11 | EE | Alan R. Katritzky,
Tarmo Tamm,
Yilin Wang,
Mati Karelson:
A Unified Treatment of Solvent Properties.
Journal of Chemical Information and Computer Sciences 39(4): 692-698 (1999) |
1998 |
10 | EE | Alan R. Katritzky,
Victor S. Lobanov,
Mati Karelson:
Normal Boiling Points for Organic Compounds: Correlation and Prediction by a Quantitative Structure-Property Relationship.
Journal of Chemical Information and Computer Sciences 38(1): 28-41 (1998) |
9 | EE | Alan R. Katritzky,
Lan Mu,
Mati Karelson:
Relationships of Critical Temperatures to Calculated Molecular Properties.
Journal of Chemical Information and Computer Sciences 38(2): 293-299 (1998) |
8 | EE | 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.
Journal of Chemical Information and Computer Sciences 38(2): 300-304 (1998) |
7 | EE | 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.
Journal of Chemical Information and Computer Sciences 38(4): 720-725 (1998) |
6 | EE | Alan R. Katritzky,
Sulev Sild,
Mati Karelson:
General Quantitative Structure-Property Relationship Treatment of the Refractive Index of Organic Compounds.
Journal of Chemical Information and Computer Sciences 38(5): 840-844 (1998) |
5 | EE | Alan R. Katritzky,
Sulev Sild,
Mati Karelson:
Correlation and Prediction of the Refractive Indices of Polymers by QSPR.
Journal of Chemical Information and Computer Sciences 38(6): 1171-1176 (1998) |
1997 |
4 | EE | Alan R. Katritzky,
Lan Mu,
Mati Karelson:
QSPR Treatment of the Unified Nonspecific Solvent Polarity Scale.
Journal of Chemical Information and Computer Sciences 37(4): 756-761 (1997) |
3 | EE | Alan R. Katritzky,
Uko Maran,
Mati Karelson,
Victor S. Lobanov:
Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach.
Journal of Chemical Information and Computer Sciences 37(5): 913-919 (1997) |
1996 |
2 | EE | 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.
Journal of Chemical Information and Computer Sciences 36(4): 879-884 (1996) |
1 | EE | Alan R. Katritzky,
Lan Mu,
Mati Karelson:
A QSPR Study of the Solubility of Gases and Vapors in Water.
Journal of Chemical Information and Computer Sciences 36(6): 1162-1168 (1996) |