Dr Andrey A. Toropov

Predicting acute contact toxicity of organic binary mixtures in honey bees (A. mellifer...

• The Science of The Total Environment
• November 2019

QSPR as a random event: solubility of fullerenes C[60] and C[70]

• Fullerenes Nanotubes and Carbon Nanostructures
• August 2019

Combinations of graph invariants and attributes of simplified molecular input-line entr...

• Food Research International
• August 2019

QSAR as a random event: criteria of predictive potential for a chance model

• Structural Chemistry
• June 2019

Corrigendum to “The application of new HARD-descriptor available from the CORAL softwar...

• Food and Chemical Toxicology
• June 2019

Corrigendum to “CORAL: Binary classifications (active/inactive) for drug-induced liver ...

• Toxicology Letters
• June 2019

Corrigendum to “Hybrid optimal descriptors as a tool to predict skin sensitization in a...

• Toxicology Letters
• June 2019

Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique

• Anti-Cancer Agents in Medicinal Chemistry
• May 2019

Idealization of correlations between optimal simplified molecular input-line entry syst...

• SAR and QSAR in Environmental Research
• May 2019

The Correlation Contradictions Index (CCI): Building up reliable models of mutagenic po...

• The Science of The Total Environment
• May 2019

QSPR and nano-QSPR: What is the difference?

• Journal of Molecular Structure
• April 2019

The study of the index of ideality of correlation as a new criterion of predictive pote...

• The Science of The Total Environment
• April 2019

”Ideal correlations” for biological activity of peptides

• Biosystems
• April 2019

The Monte Carlo Method as a Tool to Build up Predictive QSPR/QSAR

• Current Computer - Aided Drug Design
• March 2019

The Index of Ideality of Correlation: QSAR Model of Acute Toxicity for Zebrafish (Danio...

• International Journal of Environmental Research
• March 2019

Does the Index of Ideality of Correlation Detect the Better Model Correctly?

• Molecular Informatics
• February 2019

Applying of the Monte Carlo method for the prediction of behavior of peptides

• Current Protein and Peptide Science
• January 2019

Estimation of 2D autocorrelation descriptors and 2D Monte Carlo descriptors as a tool t...

• Chemometrics and Intelligent Laboratory Systems
• January 2019

QSAR Development for Plasma Protein Binding: Influence of the Ionization State

• Pharmaceutical Research
• December 2018

Idealized correlations: prediction of solubility of fullerene in organic solvents

• December 2018

Semi-correlations as a tool to build up categorical (active/inactive) model of GABAA re...

• Structural Chemistry
• November 2018

Predicting Cytotoxicity of 2-Phenylindole Derivatives Against Breast Cancer Cells Using...

• Anticancer Research
• November 2018

CORAL: Predictive models for cytotoxicity of functionalized nanozeolites based on quasi...

• Chemosphere
• November 2018

The index of ideality of correlation: improvement of models for toxicity to algae

• Natural Product Research
• October 2018

Quasi-SMILES: quantitative structure–activity relationships to predict anticancer activity

• Molecular Diversity
• October 2018

Use of the index of ideality of correlation to improve models of eco-toxicity

• Environmental Science and Pollution Research
• September 2018

The index of ideality of correlation: hierarchy of Monte Carlo models for glass transit...

• Journal of Polymer Research
• September 2018

Semi-correlations combined with the index of ideality of correlation: a tool to build u...

• Molecular and Cellular Biochemistry
• August 2018

Quasi-SMILES as a tool to predict removal rates of pharmaceuticals and dyes in sewage

• Process Safety and Environmental Protection
• August 2018

Use of The Index of Ideality of Correlation to improve predictive potential for biochem...

• Toxicology Mechanisms and Methods
• July 2018

Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES

• Biosystems
• July 2018

Blood Brain Barrier and Alzheimer’s Disease: Similarity and Dissimilarity of Molecular ...

• Current Neuropharmacology
• June 2018

SAR for gastro-intestinal absorption and blood-brain barrier permeation of pesticides

• Chemico-Biological Interactions
• June 2018

Application of the Monte Carlo method for building up models for octanol-water partitio...

• Chemical Physics Letters
• June 2018

Quantitative Structure-activity Relationship Study of Betulinic Acid Derivatives Agains...

• Current Computer - Aided Drug Design
• May 2018

Use of quasi-SMILES to model biological activity of “micelle–polymer” samples

• Structural Chemistry
• May 2018

CORAL: Building up QSAR models for the chromosome aberration test

• Saudi Journal of Biological Sciences
• May 2018

Towards the Development of Global Nano-Quantitative Structure–Property Relationship Mod...

• Nanomaterials
• April 2018

CORAL: Monte Carlo Method to Predict Endpoints for Medical Chemistry

• Mini-Reviews in Medicinal Chemistry
• February 2018

Editorial; Impact of Drug Metabolism and its Relevance upon Drug Discovery

• Current Drug Metabolism
• February 2018

CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats

• Computational Biology and Chemistry
• February 2018

The application of new HARD-descriptor available from the CORAL software to building up...

• Food and Chemical Toxicology
• February 2018

Prediction of Biochemical Endpoints by the CORAL Software: Prejudices, Paradoxes, and R...

• January 2018

Mutagenicity, Anticancer activity, and Blood brain barrier: Similarity and dissimilarit...

• Toxicology Mechanisms and Methods
• December 2017

QSPR analysis of threshold of odor for the large number of heterogenic chemicals

• Molecular Diversity
• December 2017

QSAR model for blood-brain barrier permeation

• Journal of Pharmacological and Toxicological Methods
• November 2017

Improved Model for Biodegradability of Organic Compounds: The Correlation Contributions...

• October 2017

Meet Our Editorial Board Member

• Current Drug Discovery Technologies
• October 2017

QSAR of antimycobacterial activity of benzoxazoles by optimal SMILES-based descriptors

• Medicinal Chemistry Research
• August 2017

Index of Ideality of Correlation: new possibilities to validate QSAR: a case study

• Structural Chemistry
• July 2017

Developing innovative in silico models with EFSA's OpenFoodTox database

• EFSA Supporting Publications
• July 2017

QSAR models for predicting acute toxicity of pesticides in rainbow trout using the CORA...

• Environmental Toxicology and Pharmacology
• July 2017

The index of ideality of correlation: A criterion of predictive potential of QSPR/QSAR ...

• Mutation Research/Genetic Toxicology and Environmental Mutagenesis
• July 2017

Prediction of gas chromatographic retention indices based on Monte Carlo method

• Talanta
• June 2017

Hybrid optimal descriptors as a tool to predict skin sensitization in accordance to OEC...

• Toxicology Letters
• June 2017

Utilization of the Monte Carlo method to build up QSAR models for hemolysis and cytoto...

• Current Drug Discovery Technologies
• May 2017

CORAL and Nano-QFAR: Quantitative feature – Activity relationships (QFAR) for bioavaila...

• Ecotoxicology and Environmental Safety
• May 2017

The index of ideality of correlation: A criterion of predictability of QSAR models for ...

• The Science of The Total Environment
• May 2017

Meet Our Editorial Board Member

• Mini-Reviews in Medicinal Chemistry
• April 2017

Nano-QSAR in cell biology: Model of cell viability as a mathematical function of availa...

• Journal of Theoretical Biology
• March 2017

CORAL: Binary classifications (active/inactive) for drug-induced liver injury

• Toxicology Letters
• February 2017

Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors

• SAR and QSAR in Environmental Research
• January 2017

Development of Monte Carlo Approaches in Support of Environmental Research

• January 2017

Contributors

• January 2017

Quasi-SMILES as a Novel Tool for Prediction of Nanomaterials′ Endpoints

• January 2017

Improved building up a model of toxicity towards Pimephales promelas by the Monte Carlo...

• Environmental Toxicology and Pharmacology
• December 2016

Meet Our Editorial Board Member

• Combinatorial Chemistry & High Throughput Screening
• November 2016

Odor threshold prediction by means of the Monte Carlo method

• Ecotoxicology and Environmental Safety
• November 2016

Quantitative structure–activity relationship models for bee toxicity

• Toxicological and Environmental Chemistry
• October 2016

The Utilization of the Monte Carlo Technique for Rational Drug Discovery

• Combinatorial Chemistry & High Throughput Screening
• September 2016

Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nan...

• Chemical Physics Letters
• September 2016

Monte Carlo-based quantitative structure-activity relationship models for toxicity of o...

• Environmental Toxicology and Chemistry
• July 2016

QSPR Model for Dispersibility of Graphene in Various Solvents

• Letters in Drug Design & Discovery
• June 2016

Evolution of Optimal Descriptors

• International Journal of Quantitative Structure-Property Relationships
• June 2016

The Monte Carlo technique as a tool to predict LOAEL

• European Journal of Medicinal Chemistry
• June 2016

Assessment of nano-QSPR models of organic contaminant absorption by carbon nanotubes fo...

• Materials Discovery
• June 2016

Monte Carlo method for predicting of cardiac toxicity: hERG blocker compounds

• Toxicology Letters
• May 2016

Towards predicting the solubility of CO2and N2in different polymers using a quasi-SMILE...

• SAR and QSAR in Environmental Research
• April 2016

Model for electrochemical parameters for 4-(benzylsulfanyl)pyridines calculated from th...

• Journal of Electroanalytical Chemistry
• April 2016

Building up a QSAR model for toxicity toward Tetrahymena pyriformis by the Monte Carlo ...

• Environmental Toxicology and Pharmacology
• March 2016

Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different c...

• Ecotoxicology and Environmental Safety
• February 2016

QSAR model for predicting cell viability of human embryonic kidney cells exposed to SiO...

• Chemosphere
• February 2016

Quasi-SMILES as a tool to utilize eclectic data for predicting the behavior of nanomate...

• NanoImpact
• January 2016

QSAR Model for Cytotoxicity of Silica Nanoparticles on Human Embryonic Kidney Cells1

• Materials Today Proceedings
• January 2016

Development of the Latest Tools for Building up “Nano-QSAR”: Quantitative Features—Prop...

• January 2016

QSAR modeling of the antimicrobial activity of peptides as a mathematical function of a...

• Computational Biology and Chemistry
• December 2015

Quasi-SMILES and nano-QFAR: United model for mutagenicity of fullerene and MWCNT under ...

• Chemosphere
• November 2015

In silico prediction of the β-cyclodextrin complexation based on Monte Carlo method

• International Journal of Pharmaceutics
• November 2015

Prediction of retention characteristics of heterocyclic compounds

• Analytical and Bioanalytical Chemistry
• October 2015

Searching therapeutic agents for treatment of Alzheimer disease using the Monte Carlo m...

• Computers in Biology and Medicine
• September 2015

CORAL: Prediction of binding affinity and efficacy of thyroid hormone receptor ligands

• European Journal of Medicinal Chemistry
• August 2015

QSPR models for estimating retention in HPLC with the p solute polarity parameter based...

• Structural Chemistry
• July 2015

Large-scale structure-activity relationship study of hepatitis C virus NS5B polymerase ...

• Molecular Diversity
• July 2015

CORAL: Model for octanol/water partition coefficient

• Fluid Phase Equilibria
• July 2015

Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Proper...

• Current Topics in Medicinal Chemistry
• June 2015

Editorial (Thematic Issue: From Chemoinformatics to Nanoinformatics: New Tools for Drug...

• Current Topics in Medicinal Chemistry
• June 2015

Prediction of the Q-e parameters from structures of transfer chain agents

• Journal of Polymer Research
• June 2015

Amino substituted nitrogen heterocycle ureas as kinase insert domain containing recepto...

• Journal of Food and Drug Analysis
• June 2015

The Monte Carlo Method Based on Eclectic Data as an Efficient Tool for Predictions of E...

• Combinatorial Chemistry & High Throughput Screening
• April 2015

Mutagenicity: QSAR - quasi-QSAR - nano-QSAR

• Mini-Reviews in Medicinal Chemistry
• April 2015

CORAL: model for no observed adverse effect level (NOAEL)

• Molecular Diversity
• April 2015

Quasi-QSAR for mutagenic potential of multi-walled carbon-nanotubes

• Chemosphere
• April 2015

QSAR Models for the Reactivation of Sarin Inhibited Acetylcholinesterase by Quaternary ...

• Current Computer - Aided Drug Design
• March 2015

QSAR model as a random event: A case of rat toxicity

• Bioorganic & Medicinal Chemistry
• March 2015

Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for...

• Ecotoxicology and Environmental Safety
• February 2015

A quasi-QSPR modelling for the photocatalytic decolourization rate constants and cellul...

• SAR and QSAR in Environmental Research
• January 2015

QSPR studies on refractive indices of structurally heterogeneous polymers

• Chemometrics and Intelligent Laboratory Systems
• January 2015

QSAR as a random event: a case of NOAEL

• Environmental Science and Pollution Research
• December 2014

Monte Carlo Method-Based QSAR Modeling of Penicillins Binding to Human Serum Proteins

• Archiv der Pharmazie
• November 2014

Large-scale QSAR study of aromatase inhibitors using SMILES-based descriptors

• Chemometrics and Intelligent Laboratory Systems
• November 2014

Optimal descriptor as a translator of eclectic information into the prediction of membr...

• Ecotoxicology and Environmental Safety
• October 2014

Optimal nano-descriptors as translators of eclectic data into prediction of the cell me...

• Environmental Science and Pollution Research
• September 2014

Discovery of Potential, Non-Toxic Influenza Virus Inhibitor by Computational Techniques

• Molecular Informatics
• July 2014

QSAR models for 1,2,4-benzotriazines as Src inhibitors based on Monte Carlo method

• Medicinal Chemistry Research
• July 2014

AconitumandDelphiniumDiterpenoid Alkaloids of Local Anesthetic Activity: Comparative QS...

• Journal of Environmental Science and Health Part C
• July 2014

Optimal descriptor as a translator of eclectic data into endpoint prediction: Mutagenic...

• Chemosphere
• June 2014

QSAR Models for Anti-Malarial Activity of 4-Aminoquinolines

• Current Computer - Aided Drug Design
• May 2014

Conformation-independent QSAR on c-Src tyrosine kinase inhibitors

• Chemometrics and Intelligent Laboratory Systems
• May 2014

QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method

• European Journal of Medicinal Chemistry
• April 2014

Optimal descriptors as a tool to predict the thermal decomposition of polymers

• Journal of Mathematical Chemistry
• February 2014

Comprehension of drug toxicity: Software and databases

• Computers in Biology and Medicine
• February 2014

CORAL software: Prediction of carcinogenicity of drugs by means of the Monte Carlo method

• European Journal of Pharmaceutical Sciences
• February 2014

QSAR model for cytotoxicity of SiO2 nanoparticles on human lung fibroblasts

• Journal of Nanoparticle Research
• February 2014

Monte Carlo Method Based QSAR Modeling of Coumarin Derivates as Potent HIV‐1 Integrase ...

• Acta Facultatis Medicae Naissensis
• January 2014

Building up QSAR model for toxicity of psychotropic drugs by the Monte Carlo method

• Structural Chemistry
• December 2013

ChemInform Abstract: OCWLGI Descriptors: Theory and Praxis

• ChemInform
• November 2013

Optimal descriptor as a translator of eclectic information into the prediction of membr...

• Chemosphere
• November 2013

In silico methods to predict drug toxicity

• Current Opinion in Pharmacology
• October 2013

SMILES-based quantitative structure–property relationships for half-wave potential of N...

• European Journal of Medicinal Chemistry
• September 2013

Optimal descriptor as a translator of eclectic information into the prediction of therm...

• Journal of Mathematical Chemistry
• June 2013

SMILES-based quantitative structure–retention relationships for RP HPLC of 1-phenyl-5-b...

• Structural Chemistry
• June 2013

QSAR as a random event: Modeling of nanoparticles uptake in PaCa2 cancer cells

• Chemosphere
• June 2013

OCWLGI Descriptors: Theory and Praxis

• Current Computer - Aided Drug Design
• June 2013

CORAL: QSPRs of enthalpies of formation of organometallic compounds

• Journal of Mathematical Chemistry
• April 2013

QSAR models for inhibitors of physiological impact of Escherichia coli that leads to di...

• Biochemical and Biophysical Research Communications
• March 2013

CORAL: Classification Model for Predictions of Anti-Sarcoma Activity

• Current Topics in Medicinal Chemistry
• March 2013

SMILES-based QSAR model for arylpiperazines as high-affinity 5-HT1A receptor ligands us...

• European Journal of Pharmaceutical Sciences
• February 2013

CORAL: QSPR model of water solubility based on local and global SMILES attributes

• Chemosphere
• January 2013

Development of QSAR models for predicting anti-HIV-1 activity using the Monte Carlo method

• Open Chemistry
• January 2013

The definition of the molecular structure for potential anti-malaria agents by the Mont...

• Structural Chemistry
• December 2012

SMILES-Based QSAR Models for the Calcium Channel-Antagonistic Effect of 1,4-Dihydropyri...

• Archiv der Pharmazie
• December 2012

CORAL: Monte Carlo Method as a Tool for the Prediction of the Bioconcentration Factor o...

• Molecular Informatics
• November 2012

Novel application of the CORAL software to model cytotoxicity of metal oxide nanopartic...

• Chemosphere
• November 2012

CORAL: Models of toxicity of binary mixtures

• Chemometrics and Intelligent Laboratory Systems
• October 2012

CORAL: Binary Classifications (Active/Inactive) for Liver-Related Adverse Effects of Drugs

• Current Drug Safety
• September 2012

CORAL: Quantitative models for estimating bioconcentration factor of organic compounds

• Chemometrics and Intelligent Laboratory Systems
• August 2012

Calculation of Molecular Features with Apparent Impact on Both Activity of Mutagens and...

• Anti-Cancer Agents in Medicinal Chemistry
• August 2012

The average numbers of outliers over groups of various splits into training and test se...

• Chemical Physics Letters
• July 2012

SMILES-based QSPR model for half-wave potentials of 1-phenyl-5-benzyl-sulfanyltetrazole...

• Chemical Physics Letters
• June 2012

Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants...

• Journal of Computational Chemistry
• May 2012

QSAR modeling of endpoints for peptides which is based on representation of the molecul...

• Structural Chemistry
• April 2012

QSAR models for ACE-inhibitor activity of tri-peptides based on representation of the m...

• Structural Chemistry
• April 2012

CORAL: Predictions of rate constants of hydroxyl radical reaction using representation ...

• Chemometrics and Intelligent Laboratory Systems
• March 2012

QSAR Models for Toxicity of Organic Substances to Daphnia magna Built up by Using the C...

• Chemical Biology & Drug Design
• January 2012

CORAL: QSAR modeling of toxicity of organic chemicals towards Daphnia magna

• Chemometrics and Intelligent Laboratory Systems
• January 2012

Coral: QSAR models for acute toxicity in fathead minnow (Pimephales promelas)

• Journal of Computational Chemistry
• January 2012

CORAL: the prediction of biodegradation of organic compounds with optimal SMILES-based ...

• Open Chemistry
• January 2012

SMILES-based QSAR Approaches for Carcinogenicity and Anticancer Activity: Comparison of...

• Anti-Cancer Agents in Medicinal Chemistry
• December 2011

Comparison of SMILES and molecular graphs as the representation of the molecular struct...

• Chemometrics and Intelligent Laboratory Systems
• November 2011

SMILES-based optimal descriptors: QSAR modeling of estrogen receptor binding affinity b...

• Structural Chemistry
• October 2011

CORAL: Quantitative structure-activity relationship models for estimating toxicity of o...

• Journal of Computational Chemistry
• June 2011

coral Software: QSAR for Anticancer Agents

• Chemical Biology & Drug Design
• May 2011

CORAL: Building up the model for bioconcentration factor and defining it’s applicabilit...

• European Journal of Medicinal Chemistry
• April 2011

Simplified Molecular Input-Line Entry System and International Chemical Identifier in t...

• Chemical Biology & Drug Design
• March 2011

A first real nano-QSAR model to predict toxicity of metal oxide nanomaterials

• Nature Nanotechnology
• February 2011

Improved model for fullerene C60 solubility in organic solvents based on quantum-chemic...

• Journal of Nanoparticle Research
• February 2011

Co-evolutions of correlations for QSAR of toxicity of organometallic and inorganic subs...

• Chemometrics and Intelligent Laboratory Systems
• February 2011

QSAR modeling of anxiolytic activity taking into account the presence of keto- and enol...

• Open Chemistry
• January 2011

QSAR modelling toxicity toward rats of inorganic substances by means of CORAL

• Open Chemistry
• January 2011

Analysis of the co-evolutions of correlations as a tool for QSAR-modeling of carcinogen...

• Open Chemistry
• January 2011

A new bioconcentration factor model based on SMILES and indices of presence of atoms

• European Journal of Medicinal Chemistry
• September 2010

SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correl...

• European Journal of Medicinal Chemistry
• September 2010

QSAR modeling of measured binding affinity for fullerene-based HIV-1 PR inhibitors by C...

• Journal of Mathematical Chemistry
• August 2010

InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibit...

• European Journal of Medicinal Chemistry
• April 2010

QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balanc...

• European Journal of Medicinal Chemistry
• April 2010

CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives

• Molecular Diversity
• March 2010

QSPR modelling of normal boiling points and octanol/water partition coefficient for acy...

• Open Chemistry
• January 2010

QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based op...

• Journal of Computational Chemistry
• November 2009

QSAR analysis of 1,4-dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridines exhibiting antica...

• Journal of Mathematical Chemistry
• September 2009

QSAR modelling of the toxicity to Tetrahymena pyriformis by balance of correlations

• Molecular Diversity
• August 2009

Use of the international chemical identifier for constructing QSPR-model of normal boil...

• Journal of Mathematical Chemistry
• July 2009

Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search fo...

• International Journal of Molecular Sciences
• July 2009

QSPR modeling bioconcentration factor (BCF) by balance of correlations

• European Journal of Medicinal Chemistry
• June 2009

QSAR-modeling of toxicity of organometallic compounds by means of the balance of correl...

• Molecular Diversity
• May 2009

Simplified Molecular Input Line Entry System-Based Optimal Descriptors: Quantitative St...

• Chemical Biology & Drug Design
• May 2009

Erratum

• Chemical Biology & Drug Design
• April 2009

QSAR Modelling for Mutagenic Potency of Heteroaromatic Amines by Optimal SMILES-based D...

• Chemical Biology & Drug Design
• March 2009

QSAR modelling of carcinogenicity by balance of correlations

• Molecular Diversity
• February 2009

Additive InChI-based optimal descriptors: QSPR modeling of fullerene C 60 solubility in...

• Journal of Mathematical Chemistry
• January 2009

SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors ...

• Journal of Computational Chemistry
• January 2009

QSPR modelling of the octanol/water partition coefficient of organometallic substances ...

• Open Chemistry
• January 2009

QSPR modeling of octanol water partition coefficient of platinum complexes by InChI-bas...

• Journal of Mathematical Chemistry
• November 2008

QSPR modeling for enthalpies of formation of organometallic compounds by means of SMILE...

• Chemical Physics Letters
• August 2008

QSAR modeling of acute toxicity by balance of correlations

• Bioorganic & Medicinal Chemistry
• June 2008

Multiplicative SMILES-based optimal descriptors: QSPR modeling of fullerene C60 solubil...

• Chemical Physics Letters
• May 2008

Additive SMILES-based optimal descriptors in QSAR modelling bee toxicity: Using rare SM...

• Bioorganic & Medicinal Chemistry
• May 2008

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptor...

• European Journal of Medicinal Chemistry
• April 2008

New Approach to QSPR Modeling of Fullerene C60 Solubility in Organic Solvents: An Appli...

• January 2008

Multiple Linear Regression Analysis and Optimal Descriptors: Predicting the Cholesteryl...

• QSAR & Combinatorial Science
• November 2007

Predicting thermal conductivity of nanomaterials by correlation weighting technological...

• Materials Letters
• October 2007

Additive SMILES based optimal descriptors: QSPR modeling of fullerene C60 solubility in...

• Chemical Physics Letters
• August 2007

SMILES in QSPR/QSAR Modeling: Results and Perspectives

• Current Drug Discovery Technologies
• August 2007

QSPR study on solubility of fullerene C60 in organic solvents using optimal descriptors...

• Chemical Physics Letters
• June 2007

QSAR Modeling of Acute Toxicity for Nitrobenzene Derivatives Towards Rats: Comparative ...

• QSAR & Combinatorial Science
• May 2007

Optimisation of correlation weights of SMILES invariants for modelling oral quail toxicity

• European Journal of Medicinal Chemistry
• May 2007

Predicting water solubility and octanol water partition coefficient for carbon nanotube...

• Computational Biology and Chemistry
• April 2007

QSAR Modeling of PeripheralVersus Central Benzodiazepine Receptor Binding Affinity of 2...

• Quantitative Structure-Activity Relationships
• April 2007

SMILES as an alternative to the graph in QSAR modelling of bee toxicity

• Computational Biology and Chemistry
• February 2007

Characterization of chemical structures

• January 2007

Results of DEMETRA models

• January 2007

A new approach to the characterization of nanomaterials: Predicting Young’s modulus by ...

• Chemical Physics Letters
• December 2006

QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calcul...

• Computational Biology and Chemistry
• December 2006

Comparison of QSPR models of octanol/water partition coefficient for vitamins and non v...

• European Journal of Medicinal Chemistry
• November 2006

QSPR modeling mineral crystal lattice energy by optimal descriptors of the graph of ato...

• Chemical Physics Letters
• September 2006

Correlation weighting of valence shells in QSAR analysis of toxicity

• Bioorganic & Medicinal Chemistry
• June 2006

QSAR models for Daphnia toxicity of pesticides based on combinations of topological par...

• Bioorganic & Medicinal Chemistry
• April 2006

QSAR models of quail dietary toxicity based on the graph of atomic orbitals

• Bioorganic & Medicinal Chemistry Letters
• April 2006

QSPR-modeling of oligophenylene melting points

• Journal of Structural Chemistry
• March 2006

Improved QSAR modeling of anti-HIV-1 acivities by means of the optimized correlation we...

• Open Chemistry
• January 2006

QSAR of the testosterone binding globulin affinity by means of correlation weighting of...

• Bioorganic & Medicinal Chemistry
• December 2005

QSPR Modeling of Gibbs Free Energy of Organic Compounds by Weighting of Nearest Neighbo...

• Structural Chemistry
• June 2005

QSPR modeling of the water solubility of diverse functional aliphatic compounds by opti...

• Journal of Molecular Modeling
• January 2005

Graph of atomic orbitals and the molecular structure-descriptors based on it

• Journal of the Serbian Chemical Society
• January 2005

QSPR Calculation of Normal Boiling Points of Organic Molecules Based on the Use of Corr...

• Molecules
• December 2004

Special Issue on Flexible Molecular Descriptors

• Molecules
• December 2004

Nearest neighboring code and hydrogen bond index in labeled hydrogen-filled graph and g...

• Journal of Molecular Structure THEOCHEM
• December 2004

QSPR Modeling of the Reactivity Parameters of Monomers in Radical Copolymerizations

• Journal of Structural Chemistry
• November 2004

QSPR Modeling of Complex Stability by Correlation Weighing of the Topological and Chemi...

• Russian Journal of Coordination Chemistry
• September 2004

QSAR Modeling ANTI-HIV-1 Activities by Optimization of Correlation Weights of Local Gra...

• Molecular Simulation
• August 2004

QSPR modeling of vitrification temperatures for polyarylene oxides

• Journal of Structural Chemistry
• July 2004

QSAR modelling of aldehyde toxicity against a protozoan, Tetrahymena pyriformis by opti...

• Journal of Molecular Structure THEOCHEM
• June 2004

QSAR modelling of aldehyde toxicity by means of optimisation of correlation weights of ...

• Journal of Molecular Structure THEOCHEM
• May 2004

QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weigh...

• ChemInform
• April 2004

QSPR MODELING OF ENTHALPIES OF FORMATION FROM ELEMENTS OF COORDINATION COMPOUNDS BY COR...

• Journal of Theoretical and Computational Chemistry
• March 2004

Prediction of alkane enthalpies by means of correlation weighting of Morgan extended co...

• Chemical Physics Letters
• January 2004

QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weigh...

• Journal of Chemical Information and Computer Sciences
• January 2004

QSPR modeling aqueous solubility of polychlorinated biphenyls by optimization of correl...

• Open Chemistry
• January 2004

QSPR modeling the aqueous solubility of alcohols by optimization of correlation weights...

• Molecular Diversity
• January 2004

An Improved QSPR Modeling of Hydrocarbon Dipole Moments

• The Scientific World JOURNAL
• January 2004

Comparison of QSAR models of anti-HIV-1 potencies based on labeled hydrogen filled grap...

• Journal of Molecular Structure THEOCHEM
• November 2003

QSAR study of the toxic action of aliphatic compounds to the bacteria Vibrio fisheri ba...

• Journal of Molecular Structure THEOCHEM
• November 2003

QSPR modeling of alkanes properties based on graph of atomic orbitals

• Journal of Molecular Structure THEOCHEM
• October 2003

QSPR modeling of cycloalkanes properties by correlation weighting of extended graph val...

• Journal of Molecular Structure THEOCHEM
• October 2003

Prediction of Aquatic Toxicity: Use of Optimization of Correlation Weights of Local Gra...

• Journal of Chemical Information and Computer Sciences
• March 2003

QSAR modeling of dihydrofolate reductase inhibitory activity by correlation weighting o...

• Journal of Molecular Structure THEOCHEM
• March 2003

Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using opti...

• Computers & Chemistry
• June 2002

3D and 4D molecular models derived from the ideal symmetry method: prediction of alkane...

• Chemical Physics Letters
• April 2002

Modeling of acyclic carbonyl compounds normal boiling points by correlation weighting o...

• Journal of Molecular Structure THEOCHEM
• April 2002

QSAR modeling of toxicity on optimization of correlation weights of Morgan extended con...

• Journal of Molecular Structure THEOCHEM
• February 2002

• Russian Journal of Coordination Chemistry
• January 2002

Calculation of pK values of flavylium salts from the optimization of correlation weight...

• Journal of Molecular Structure THEOCHEM
• September 2001

Improved molecular descriptors to calculate boiling points based on the optimization of...

• Journal of Molecular Structure THEOCHEM
• June 2001

Maximum topological distance-based indices as molecular descriptors for QSPR. 3 ? Calcu...

• Journal of Molecular Modeling
• June 2001

Modeling of lipophilicity by means of correlation weighting of local graph invariants

• Journal of Molecular Structure THEOCHEM
• March 2001

Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of at...

• Journal of Molecular Structure THEOCHEM
• March 2001

• Journal of Structural Chemistry
• January 2001

Maximum topological distances based indices as molecular descriptors for QSPR

• Computers & Chemistry
• July 2000

Maximum topological distances based indices as molecular descriptors for QSPR. Part 1. ...

• Journal of Molecular Structure THEOCHEM
• April 2000

Calculation of total molecular electronic energies from Correlation Weighting of Local ...

• Journal of Molecular Modeling
• March 1999

QSPR/QSAR Analyses by Means of the CORAL Software

An Effective Visualization and Analysis Method for Edge Measurement

QSPR/QSAR Analyses by Means of the CORAL Software

Quasi-SMILES for Nano-QSAR Prediction of Toxic Effect of Al2O3 Nanoparticles