| 2007 | ||
|---|---|---|
| 34 | Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson: Structure-based calculation of drug efficiency indices. Bioinformatics 23(20): 2678-2685 (2007) | |
| 33 | Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson: Rapid QSPR model development technique for prediction of vapor pressure of organic compounds. Computers & Chemical Engineering 31(9): 1123-1130 (2007) | |
| 2006 | ||
| 32 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | Mati Karelson, Anti Perkson: QSPR Prediction of Densities of Organic Liquids. Computers & Chemistry 23(1): 49-59 (1999) | |
| 13 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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 | 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) | |