2007 | ||
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18 | EE | Bernd Schuller, Bastian Demuth, Hartmut Mix, Katharina Rasch, Mathilde Romberg, Sulev Sild, Uko Maran, Piotr Bala, Enrico del Grosso, Mosé Casalegno, Nadège Piclin, Marco Pintore, Wibke Sudholt, Kim Baldridge: Chemomentum - UNICORE 6 Based Infrastructure for Complex Applications in Science and Technology. Euro-Par Workshops 2007: 82-93 |
17 | EE | Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson: Structure-based calculation of drug efficiency indices. Bioinformatics 23(20): 2678-2685 (2007) |
16 | EE | Uko Maran, Sulev Sild, Iiris Kahn, Kalev Takkis: Mining of the chemical information in GRID environment. Future Generation Comp. Syst. 23(1): 76-83 (2007) |
2006 | ||
15 | EE | Uko Maran, Sulev Sild, Paolo Mazzatorta, Mosé Casalegno, Emilio Benfenati, Mathilde Romberg: Grid Computing for the Estimation of Toxicity: Acute Toxicity on Fathead Minnow (Pimephales promelas). GCCB 2006: 60-74 |
14 | 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 | ||
13 | EE | Sulev Sild, Uko Maran, Mathilde Romberg, Bernd Schuller, Emilio Benfenati: OpenMolGRID: Using Automated Workflows in GRID Computing Environment. EGC 2005: 464-473 |
12 | EE | Tatiana I. Netzeva, Aynur O. Aptula, Emilio Benfenati, Mark T. D. Cronin, Giuseppina C. Gini, Iglika Lessigiarska, Uko Maran, Marjan Vracko, Gerrit Schüürmann: Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. Journal of Chemical Information and Modeling 45(1): 106-114 (2005) |
11 | 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) |
10 | EE | Alan R. Katritzky, Indrek Tulp, Dan C. Fara, Antonino Lauria, Uko Maran, William E. Acree Jr.: A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents. Journal of Chemical Information and Modeling 45(4): 913-923 (2005) |
2003 | ||
9 | EE | Uko Maran, Sulev Sild: QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds. Artif. Intell. Rev. 20(1-2): 13-38 (2003) |
8 | 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) |
7 | EE | Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, Ruslan Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, William E. Acree Jr.: A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents. Journal of Chemical Information and Computer Sciences 43(6): 1794-1805 (2003) |
6 | EE | Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, Ruslan Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, William E. Acree Jr.: A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents. Journal of Chemical Information and Computer Sciences 43(6): 1806-1814 (2003) |
2002 | ||
5 | 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 | ||
4 | EE | Alan R. Katritzky, Douglas B. Tatham, Uko Maran: Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures. Journal of Chemical Information and Computer Sciences 41(2): 358-363 (2001) |
3 | 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) |
2 | EE | Alan R. Katritzky, Douglas B. Tatham, Uko Maran: Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships. Journal of Chemical Information and Computer Sciences 41(5): 1162-1176 (2001) |
1997 | ||
1 | 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) |