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2010 – 2019
- 2019
[j27]Mare Oja
, Sulev Sild, Uko Maran:
Logistic Classification Models for pH-Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System. J. Chem. Inf. Model. 59(5): 2442-2455 (2019)- 2017
- [j26]Pavel Sidorov, Birgit Viira, Elisabeth Davioud-Charvet, Uko Maran, Gilles Marcou, Dragos Horvath, Alexandre Varnek:
QSAR modeling and chemical space analysis of antimalarial compounds. J. Comput. Aided Mol. Des. 31(5): 441-451 (2017) - 2015
- [j25]Villu Ruusmann, Sulev Sild, Uko Maran:
QSAR DataBank repository: open and linked qualitative and quantitative structure-activity relationship models. J. Cheminformatics 7: 32:1-32:11 (2015) - 2014
- [j24]Villu Ruusmann, Sulev Sild, Uko Maran:
QSAR DataBank - an approach for the digital organization and archiving of QSAR model information. J. Cheminformatics 6(1): 25 (2014) - [j23]Alfonso T. García-Sosa, Uko Maran:
Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets. J. Chem. Inf. Model. 54(11): 3172-3185 (2014) - 2013
- [j22]Villu Ruusmann, Uko Maran:
From data point timelines to a well curated data set, data mining of experimental data and chemical structure data from scientific articles, problems and possible solutions. J. Comput. Aided Mol. Des. 27(7): 583-603 (2013) - 2012
- [j21]Alfonso T. García-Sosa, Mare Oja, Csaba Hetényi, Uko Maran:
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties. J. Chem. Inf. Model. 52(8): 2165-2180 (2012) - 2011
- [j20]Alfonso T. García-Sosa, Sulev Sild, Kalev Takkis, Uko Maran:
Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase. J. Chem. Inf. Model. 51(10): 2595-2611 (2011) - 2010
- [j19]Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran:
Drug efficiency indices for improvement of molecular docking scoring functions. J. Comput. Chem. 31(1): 174-184 (2010) - [j18]Indrek Tulp, Dimitar A. Dobchev, Alan R. Katritzky, William E. Acree Jr., Uko Maran:
A General Treatment of Solubility 4. Description and Analysis of a PCA Model for Ostwald Solubility Coefficients. J. Chem. Inf. Model. 50(7): 1275-1283 (2010)
2000 – 2009
- 2008
- [j17]Alfonso T. García-Sosa, Sulev Sild, Uko Maran:
Design of Multi-Binding-Site Inhibitors, Ligand Efficiency, and Consensus Screening of Avian Influenza H5N1 Wild-Type Neuraminidase and of the Oseltamivir-Resistant H274Y Variant. J. Chem. Inf. Model. 48(10): 2074-2080 (2008) - 2007
- [j16]Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson:
Structure-based calculation of drug efficiency indices. Bioinform. 23(20): 2678-2685 (2007) - [j15]Uko Maran, Sulev Sild, Iiris Kahn, Kalev Takkis:
Mining of the chemical information in GRID environment. Future Gener. Comput. Syst. 23(1): 76-83 (2007) - [j14]Iiris Kahn, Sulev Sild, Uko Maran:
Modeling the Toxicity of Chemicals to Tetrahymena pyriformis Using Heuristic Multilinear Regression and Heuristic Back-Propagation Neural Networks. J. Chem. Inf. Model. 47(6): 2271-2279 (2007) - [c3]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 K. Baldridge:
Chemomentum - UNICORE 6 Based Infrastructure for Complex Applications in Science and Technology. Euro-Par Workshops 2007: 82-93 - 2006
- [j13]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) - [c2]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 - 2005
- [j12]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) - [j11]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. J. Chem. Inf. Model. 45(1): 106-114 (2005) - [j10]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. J. Chem. Inf. Model. 45(4): 913-923 (2005) - [c1]Sulev Sild, Uko Maran, Mathilde Romberg, Bernd Schuller, Emilio Benfenati:
OpenMolGRID: Using Automated Workflows in GRID Computing Environment. EGC 2005: 464-473 - 2004
- [p1]Uko Maran, Sulev Sild:
QSAR Modeling of Mutagenicity on Non-Congeneric Sets of Organic Compounds. Artificial Intelligence Methods And Tools For Systems Biology 2004: 19-35 - 2003
- [j9]Uko Maran, Sulev Sild:
QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds. Artif. Intell. Rev. 20(1-2): 13-38 (2003) - [j8]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) - [j7]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. J. Chem. Inf. Comput. Sci. 43(6): 1794-1805 (2003) - [j6]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. J. Chem. Inf. Comput. Sci. 43(6): 1806-1814 (2003) - 2002
- [j5]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
- [j4]Alan R. Katritzky, Douglas B. Tatham, Uko Maran:
Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures. J. Chem. Inf. Comput. Sci. 41(2): 358-363 (2001) - [j3]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) - [j2]Alan R. Katritzky, Douglas B. Tatham, Uko Maran:
Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships. J. Chem. Inf. Comput. Sci. 41(5): 1162-1176 (2001)
1990 – 1999
- 1997
- [j1]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)
Coauthor Index
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