Uko Maran

32 papers Journal 28Unranked 3
YearRankTypeTitle / Venue / Authors
2025 J jnl
Advancing the implementation of artificial intelligence in regulatory frameworks for chemical safety assessment by defining robust readiness criteria.
Frontiers Artif. Intell.
Joyce de Paula Souza, Jonathan Blum, Uko Maran, Sulev Sild, Louis Dawson, Aleksandra Cavoski, Laura Holden, Robert Lee, Veronika Karnel, Lukas Meusburger, Sandrine Fraize-Frontier, Alexander Walsh, Gilles Rivière, Giuseppa Raitano, Alessandra Roncaglioni, Emma Di Consiglio, Olga Tcheremenskaia, Cecilia Bossa, Lina Wendt-Rasch, Tomasz Puzyn, Ellen Fritsche
2019 J jnl
Logistic Classification Models for pH-Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System.
J. Chem. Inf. Model.
Mare Oja, Sulev Sild, Uko Maran
2017 J jnl
QSAR modeling and chemical space analysis of antimalarial compounds.
J. Comput. Aided Mol. Des.
Pavel Sidorov, Birgit Viira, Elisabeth Davioud-Charvet, Uko Maran, Gilles Marcou, Dragos Horvath, Alexandre Varnek
2015 J jnl
QSAR DataBank repository: open and linked qualitative and quantitative structure-activity relationship models.
J. Cheminformatics
Villu Ruusmann, Sulev Sild, Uko Maran
2014 J jnl
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.
Alfonso T. García-Sosa, Uko Maran
2014 J jnl
QSAR DataBank - an approach for the digital organization and archiving of QSAR model information.
J. Cheminformatics
Villu Ruusmann, Sulev Sild, Uko Maran
2013 J jnl
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.
Villu Ruusmann, Uko Maran
2012 J jnl
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties.
J. Chem. Inf. Model.
Alfonso T. García-Sosa, Mare Oja, Csaba Hetényi, Uko Maran
2011 J jnl
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.
Alfonso T. García-Sosa, Sulev Sild, Kalev Takkis, Uko Maran
2010 J jnl
A General Treatment of Solubility 4. Description and Analysis of a PCA Model for Ostwald Solubility Coefficients.
J. Chem. Inf. Model.
Indrek Tulp, Dimitar A. Dobchev, Alan R. Katritzky, William E. Acree Jr., Uko Maran
2010 J jnl
Drug efficiency indices for improvement of molecular docking scoring functions.
J. Comput. Chem.
Alfonso T. García-Sosa, Csaba Hetényi, Uko Maran
2008 J jnl
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.
Alfonso T. García-Sosa, Sulev Sild, Uko Maran
2007 — conf
Chemomentum - UNICORE 6 Based Infrastructure for Complex Applications in Science and Technology.
Euro-Par Workshops
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
2007 J jnl
Mining of the chemical information in GRID environment.
Future Gener. Comput. Syst.
Uko Maran, Sulev Sild, Iiris Kahn, Kalev Takkis
2007 J jnl
Modeling the Toxicity of Chemicals to
J. Chem. Inf. Model.
Iiris Kahn, Sulev Sild, Uko Maran
2007 J jnl
Structure-based calculation of drug efficiency indices.
Bioinform.
Csaba Hetényi, Uko Maran, Alfonso T. García-Sosa, Mati Karelson
2006 — conf
Grid Computing for the Estimation of Toxicity: Acute Toxicity on Fathead Minnow (
GCCB
Uko Maran, Sulev Sild, Paolo Mazzatorta, Mosé Casalegno, Emilio Benfenati, Mathilde Romberg
2006 J jnl
Open Computing Grid for Molecular Science and Engineering.
J. Chem. Inf. Model.
Sulev Sild, Uko Maran, Andre Lomaka, Mati Karelson
2005 J jnl
A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents.
J. Chem. Inf. Model.
Alan R. Katritzky, Indrek Tulp, Dan C. Fara, Antonino Lauria, Uko Maran, William E. Acree Jr.
2005 J jnl
Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs.
J. Chem. Inf. Model.
Tatiana I. Netzeva, Aynur O. Aptula, Emilio Benfenati, Mark T. D. Cronin, Giuseppina C. Gini, Iglika Lessigiarska, Uko Maran, Marjan Vracko, Gerrit Schüürmann
2005 — conf
OpenMolGRID: Using Automated Workflows in GRID Computing Environment.
EGC
Sulev Sild, Uko Maran, Mathilde Romberg, Bernd Schuller, Emilio Benfenati
2005 J jnl
QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants.
J. Chem. Inf. Model.
Iiris Kahn, Dan C. Fara, Mati Karelson, Uko Maran, Patrik L. Andersson
2004 — ch.
QSAR Modeling of Mutagenicity on Non-Congeneric Sets of Organic Compounds.
Artificial Intelligence Methods And Tools For Systems Biology
Uko Maran, Sulev Sild
2003 J jnl
A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.
J. Chem. Inf. Comput. Sci.
Csaba Hetényi, Uko Maran, Mati Karelson
2003 J jnl
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.
Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, Ruslan Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, William E. Acree Jr.
2003 J jnl
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.
Alan R. Katritzky, Alexander A. Oliferenko, Polina V. Oliferenko, Ruslan Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, William E. Acree Jr.
2003 J jnl
QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds.
Artif. Intell. Rev.
Uko Maran, Sulev Sild
2002 J jnl
General and Class Specific Models for Prediction of Soil Sorption Using Various Physicochemical Descriptors.
J. Chem. Inf. Comput. Sci.
Patrik L. Andersson, Uko Maran, Dan C. Fara, Mati Karelson, Joop L. M. Hermens
2001 J jnl
Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Douglas B. Tatham, Uko Maran
2001 J jnl
Interpretation of Quantitative Structure-Property and -Activity Relationships.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati Karelson, Uko Maran
2001 J jnl
Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Douglas B. Tatham, Uko Maran
1997 J jnl
Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach.
J. Chem. Inf. Comput. Sci.
Alan R. Katritzky, Uko Maran, Mati Karelson, Victor S. Lobanov