Uko Maran

According to our database1, Uko Maran authored at least 29 papers between 1997 and 2017.

Collaborative distances :
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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In proceedings 
Article 
PhD thesis 
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Links

On csauthors.net:

Bibliography

2017
QSAR modeling and chemical space analysis of antimalarial compounds.
Journal of Computer-Aided Molecular Design, 2017

2015
QSAR DataBank repository: open and linked qualitative and quantitative structure-activity relationship models.
J. Cheminformatics, 2015

2014
Improving the Use of Ranking in Virtual Screening against HIV-1 Integrase with Triangular Numbers and Including Ligand Profiling with Antitargets.
Journal of Chemical Information and Modeling, 2014

QSAR DataBank - an approach for the digital organization and archiving of QSAR model information.
J. Cheminformatics, 2014

2013
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.
Journal of Computer-Aided Molecular Design, 2013

2012
DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties.
Journal of Chemical Information and Modeling, 2012

2011
Combined Approach Using Ligand Efficiency, Cross-Docking, and Antitarget Hits for Wild-Type and Drug-Resistant Y181C HIV-1 Reverse Transcriptase.
Journal of Chemical Information and Modeling, 2011

2010
A General Treatment of Solubility 4. Description and Analysis of a PCA Model for Ostwald Solubility Coefficients.
Journal of Chemical Information and Modeling, 2010

Drug efficiency indices for improvement of molecular docking scoring functions.
Journal of Computational Chemistry, 2010

2008
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.
Journal of Chemical Information and Modeling, 2008

2007
Modeling the Toxicity of Chemicals to Tetrahymena pyriformis Using Heuristic Multilinear Regression and Heuristic Back-Propagation Neural Networks.
Journal of Chemical Information and Modeling, 2007

Mining of the chemical information in GRID environment.
Future Generation Comp. Syst., 2007

Structure-based calculation of drug efficiency indices.
Bioinformatics, 2007

Chemomentum - UNICORE 6 Based Infrastructure for Complex Applications in Science and Technology.
Proceedings of the Euro-Par 2007 Workshops: Parallel Processing, 2007

2006
Open Computing Grid for Molecular Science and Engineering.
Journal of Chemical Information and Modeling, 2006

Grid Computing for the Estimation of Toxicity: Acute Toxicity on Fathead Minnow (Pimephales promelas).
Proceedings of the Distributed, 2006

2005
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, 2005

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, 2005

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants.
Journal of Chemical Information and Modeling, 2005

OpenMolGRID: Using Automated Workflows in GRID Computing Environment.
Proceedings of the Advances in Grid Computing, 2005

2003
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, 2003

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, 2003

A Comprehensive Docking Study on the Selectivity of Binding of Aromatic Compounds to Proteins.
Journal of Chemical Information and Computer Sciences, 2003

QSAR Modeling of Genotoxicity on Non-congeneric Sets of Organic Compounds.
Artif. Intell. Rev., 2003

2002
General and Class Specific Models for Prediction of Soil Sorption Using Various Physicochemical Descriptors.
Journal of Chemical Information and Computer Sciences, 2002

2001
Theoretical Descriptors for the Correlation of Aquatic Toxicity of Environmental Pollutants by Quantitative Structure-Toxicity Relationships.
Journal of Chemical Information and Computer Sciences, 2001

Correlation of the Solubilities of Gases and Vapors in Methanol and Ethanol with Their Molecular Structures.
Journal of Chemical Information and Computer Sciences, 2001

Interpretation of Quantitative Structure-Property and -Activity Relationships.
Journal of Chemical Information and Computer Sciences, 2001

1997
Prediction of Melting Points for the Substituted Benzenes: A QSPR Approach.
Journal of Chemical Information and Computer Sciences, 1997


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