Uko Maran

Publication Activity (10 Years)

Years Active: 1997-2019
Publications (10 Years): 2

Top Topics

Cluster Structure

Logistic Regression

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

J. Comput. Aided Mol. Des.

Publications

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) (2019)
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) (2017)
Villu Ruusmann, Sulev Sild, Uko Maran
QSAR DataBank repository: open and linked qualitative and quantitative structure-activity relationship models. J. Cheminformatics 7 (2015)
Villu Ruusmann, Sulev Sild, Uko Maran
QSAR DataBank - an approach for the digital organization and archiving of QSAR model information. J. Cheminformatics 6 (1) (2014)
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) (2014)
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) (2013)
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) (2012)
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) (2011)
Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran
Drug efficiency indices for improvement of molecular docking scoring functions. J. Comput. Chem. 31 (1) (2010)
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) (2010)
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) (2008)
Iiris Kahn, Sulev Sild, Uko Maran
Using Heuristic Multilinear Regression and Heuristic Back-Propagation Neural Networks. J. Chem. Inf. Model. 47 (6) (2007)
Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson
Structure-based calculation of drug efficiency indices. Bioinform. 23 (20) (2007)
Uko Maran, Sulev Sild, Iiris Kahn, Kalev Takkis
Mining of the chemical information in GRID environment. Future Gener. Comput. Syst. 23 (1) (2007)
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)
Sulev Sild, Uko Maran, Andre Lomaka, Mati Karelson
Open Computing Grid for Molecular Science and Engineering. J. Chem. Inf. Model. 46 (3) (2006)
Uko Maran, Sulev Sild, Paolo Mazzatorta, Mosé Casalegno, Emilio Benfenati, Mathilde Romberg
). GCCB (2006)
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) (2005)
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) (2005)
Sulev Sild, Uko Maran, Mathilde Romberg, Bernd Schuller, Emilio Benfenati
OpenMolGRID: Using Automated Workflows in GRID Computing Environment. EGC (2005)
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) (2005)
Uko Maran, Sulev Sild
QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds. Artif. Intell. Rev. 20 (1-2) (2003)
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) (2003)
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) (2003)
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) (2003)
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) (2002)
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) (2001)
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) (2001)
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) (2001)
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) (1997)