2007 |
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) |