Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach. - Alan R. Katritzky; Uko Maran; Mati Karelson; Victor S. Lobanov (J. Chem. Inf. Comput. Sci., 1997)

Interpretation of Quantitative Structure-Property and -Activity Relationships. - Alan R. Katritzky; Ruslan Petrukhin; Douglas B. Tatham; Subhash C. Basak; Emilio Benfenati; Mati Karelson; Uko Maran (J. Chem. Inf. Comput. Sci., 2001)

Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures. - Alan R. Katritzky; Douglas B. Tatham; Uko Maran (J. Chem. Inf. Comput. Sci., 2001)

Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships. - Alan R. Katritzky; Douglas B. Tatham; Uko Maran (J. Chem. Inf. Comput. Sci., 2001)

General and Class Specific Models for Prediction of Soil Sorption Using Various Physicochemical Descriptors. - Patrik L. Andersson; Uko Maran; Dan C. Fara; Mati Karelson; Joop L. M. Hermens (J. Chem. Inf. Comput. Sci., 2002)

QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds. - Uko Maran; Sulev Sild (Artif. Intell. Rev., 2003)

A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins. - Csaba Hetényi; Uko Maran; Mati Karelson (J. Chem. Inf. Comput. Sci., 2003)

A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents. - Alan R. Katritzky; Alexander A. Oliferenko; Polina V. Oliferenko; Ruslan Petrukhin; Douglas B. Tatham; Uko Maran; Andre Lomaka; William E. Acree Jr. (J. Chem. Inf. Comput. Sci., 2003)

A General Treatment of Solubility. 2. QSPR Prediction of Free Energies of Solvation of Specified Solutes in Ranges of Solvents. - Alan R. Katritzky; Alexander A. Oliferenko; Polina V. Oliferenko; Ruslan Petrukhin; Douglas B. Tatham; Uko Maran; Andre Lomaka; William E. Acree Jr. (J. Chem. Inf. Comput. Sci., 2003)

QSAR Modeling of Mutagenicity on Non-Congeneric Sets of Organic Compounds. - Uko Maran; Sulev Sild (Artificial Intelligence Methods And Tools For Systems Biology, 2004)

OpenMolGRID: Using Automated Workflows in GRID Computing Environment. - Sulev Sild; Uko Maran; Mathilde Romberg; Bernd Schuller; Emilio Benfenati (EGC, 2005)

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants. - Iiris Kahn; Dan C. Fara; Mati Karelson; Uko Maran; Patrik L. Andersson (J. Chem. Inf. Model., 2005)

A General Treatment of Solubility. 3. Principal Component Analysis (PCA) of the Solubilities of Diverse Solutes in Diverse Solvents. - Alan R. Katritzky; Indrek Tulp; Dan C. Fara; Antonino Lauria; Uko Maran; William E. Acree Jr. (J. Chem. Inf. Model., 2005)

Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. - Tatiana I. Netzeva; Aynur O. Aptula; Emilio Benfenati; Mark T. D. Cronin; Giuseppina C. Gini; Iglika Lessigiarska; Uko Maran; Marjan Vracko; Gerrit Schüürmann (J. Chem. Inf. Model., 2005)

Grid Computing for the Estimation of Toxicity: Acute Toxicity on Fathead Minnow (Pimephales promelas). - Uko Maran; Sulev Sild; Paolo Mazzatorta; Mosé Casalegno; Emilio Benfenati; Mathilde Romberg (GCCB, 2006)

Open Computing Grid for Molecular Science and Engineering. - Sulev Sild; Uko Maran; Andre Lomaka; Mati Karelson (J. Chem. Inf. Model., 2006)

Chemomentum - UNICORE 6 Based Infrastructure for Complex Applications in Science and Technology. - 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; et al. (Euro-Par Workshops, 2007)

Structure-based calculation of drug efficiency indices. - Csaba Hetényi; Uko Maran; Alfonso T. García-Sosa; Mati Karelson (Bioinform., 2007)

Mining of the chemical information in GRID environment. - Uko Maran; Sulev Sild; Iiris Kahn; Kalev Takkis (Future Gener. Comput. Syst., 2007)

Modeling the Toxicity of Chemicals to Tetrahymena pyriformis Using Heuristic Multilinear Regression and Heuristic Back-Propagation Neural Networks. - Iiris Kahn; Sulev Sild; Uko Maran (J. Chem. Inf. Model., 2007)

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. - Alfonso T. García-Sosa; Sulev Sild; Uko Maran (J. Chem. Inf. Model., 2008)

Drug efficiency indices for improvement of molecular docking scoring functions. - Alfonso T. García-Sosa; Csaba Hetényi; Uko Maran (J. Comput. Chem., 2010)

A General Treatment of Solubility 4. Description and Analysis of a PCA Model for Ostwald Solubility Coefficients. - Indrek Tulp; Dimitar A. Dobchev; Alan R. Katritzky; William E. Acree Jr.; Uko Maran (J. Chem. Inf. Model., 2010)

Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase. - Alfonso T. García-Sosa; Sulev Sild; Kalev Takkis; Uko Maran (J. Chem. Inf. Model., 2011)

DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties. - Alfonso T. García-Sosa; Mare Oja; Csaba Hetényi; Uko Maran (J. Chem. Inf. Model., 2012)

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. - Villu Ruusmann; Uko Maran (J. Comput. Aided Mol. Des., 2013)

QSAR DataBank - an approach for the digital organization and archiving of QSAR model information. - Villu Ruusmann; Sulev Sild; Uko Maran (J. Cheminformatics, 2014)

Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets. - Alfonso T. García-Sosa; Uko Maran (J. Chem. Inf. Model., 2014)

QSAR DataBank repository: open and linked qualitative and quantitative structure-activity relationship models. - Villu Ruusmann; Sulev Sild; Uko Maran (J. Cheminformatics, 2015)

QSAR modeling and chemical space analysis of antimalarial compounds. - Pavel Sidorov; Birgit Viira; Elisabeth Davioud-Charvet; Uko Maran; Gilles Marcou; Dragos Horvath; Alexandre Varnek (J. Comput. Aided Mol. Des., 2017)

Logistic Classification Models for pH-Permeability Profile: Predicting Permeability Classes for the Biopharmaceutical Classification System. - Mare Oja; Sulev Sild; Uko Maran (J. Chem. Inf. Model., 2019)