List of works - Bakhtiyor Rasulev

A Refractive Index Study of a Diverse Set of Polymeric Materials by QSPR with Quantum-Chemical and Additive Descriptors

scientific article published on 19 August 2020

A chemoinformatics approach for the characterization of hybrid nanomaterials: safer and efficient design perspective

scientific article published on 01 June 2019

A computational structure-property relationship study of glass transition temperatures for a diverse set of polymers

Aconitum and Delphinium alkaloids "Drug-likeness" descriptors related to toxic mode of action

scientific article published on 17 November 2007

Aconitum and Delphinium alkaloids of curare-like activity. QSAR analysis and molecular docking of alkaloids into AChBP.

scientific article published on 26 May 2010

Aconitum and Delphinium sp. alkaloids as antagonist modulators of voltage-gated Na+ channels. AM1/DFT electronic structure investigations and QSAR studies

scientific article

Aconitum and delphinium diterpenoid alkaloids of local anesthetic activity: comparative QSAR analysis based on GA-MLRA/PLS and optimal descriptors approach

scientific article published in January 2014

Advancing risk assessment of engineered nanomaterials: application of computational approaches

scientific article published on June 2012

Amino substituted nitrogen heterocycle ureas as kinase insert domain containing receptor (KDR) inhibitors: Performance of structure-activity relationship approaches

scientific article published in April 2015

Application of ligand- and receptor-based approaches for prediction of the HIV-RT inhibitory activity of fullerene derivatives

article

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

scientific article published on 01 September 2012

CORAL: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical

scientific article

Carbon Nanotubes' Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra.

scientific article published on 11 November 2017

Causal inference methods to assist in mechanistic interpretation of classification nano-SAR models

article

Choosing safe dispersing media for C60 fullerenes by using cytotoxicity tests on the bacterium Escherichia coli

scientific article published on 11 November 2009

Correction: Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms

Estimation of melting points of large set of persistent organic pollutants utilizing QSPR approach

scientific article published on 13 February 2016

Extraordinarily adaptive properties of the genetically encoded amino acids.

scientific article

From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles.

scientific article

Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms

scientific article

How the toxicity of nanomaterials towards different species could be simultaneously evaluated: a novel multi-nano-read-across approach.

scientific article published on 23 November 2017

Immunotoxicity of nanoparticles: a computational study suggests that CNTs and C60 fullerenes might be recognized as pathogens by Toll-like receptors

article published in 2014

Iridoid glucosides and triterpene acids from Phlomis linearifolia, growing in Uzbekistan and its hepatoprotective activity

scientific article published on 24 October 2019

Key structural features promoting radical driven degradation of emerging contaminants in water

scientific article published on 09 January 2019

Metal Oxide Nanoparticles: Size-Dependence of Quantum-Mechanical Properties

article

Modeling of Glass Transition Temperatures for Polymeric Coating Materials: Application of QSPR Mixture-based Approach

scientific article published on 04 April 2019

Modeling of photooxidative degradation of aromatics in water matrix; combination of mechanistic and structural-relationship approach

article

Modeling the Dispersibility of Single Walled Carbon Nanotubes in Organic Solvents by Quantitative Structure-Activity Relationship Approach

scientific article published on 12 May 2015

Molecular modelling and QSAR analysis of the estrogenic activity of terpenoids isolated from Ferula plants

scientific article published in October 2007

Nano-QSAR modeling for ecosafe design of heterogeneous TiO2-based nano-photocatalysts

scholarly article by Alicja Mikołajczyk et al published 2018 in Environmental science. Nano

Nanoparticles

Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across

scientific article published on 4 December 2014

Photofragmentation of Tetranitromethane: Spin-Unrestricted Time-Dependent Excited-State Molecular Dynamics

scientific article

Photofragmentation of the Gas-Phase Lanthanum Isopropylcyclopentadienyl Complex: Computational Modeling vs Experiment.

scientific article

Photoinduced Charge Transfer versus Fragmentation Pathways in Lanthanum Cyclopentadienyl Complexes

scientific article published on 26 June 2017

Polymer Coating Materials and Their Fouling Release Activity: A Cheminformatics Approach to Predict Properties

scientific article

Prediction of key structural features responsible for aromaticity of single-benzene ring pollutants and their photooxidative intermediates

article

Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: a QSAR study

scientific article

Preparation and Characterization of Inclusion Complexes of β-Cyclodextrin and Phenolics from Wheat Bran by Combination of Experimental and Computational Techniques

scientific article published on 18 September 2020

QSAR modeling of acute toxicity by balance of correlations

scientific article published on 26 April 2008

QSAR modeling of acute toxicity on mammals caused by aromatic compounds: the case study using oral LD50 for rats

scientific article

QSPR Modeling of the Refractive Index for Diverse Polymers Using 2D Descriptors

scientific article published on 17 October 2018

Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations

scientific article published on September 2013

Room temperature synthesis of PbSe quantum dots in aqueous solution: stabilization by interactions with ligands

scientific article published on 25 January 2012

Structure-activity relationship investigations of leishmanicidal N-benzylcytisine derivatives

scientific article published on 25 May 2011

Structure-hepatoprotective activity relationship study of sesquiterpene lactones: A QSAR analysis

article

Structure-toxicity relationships of nitroaromatic compounds.

scientific article published on 19 May 2006

Structures and Stabilities: Quantum-Chemical Study of Aun (n = 2-2016) Nanoclusters by Extended Huckel and DFT Approaches

Synthesis, tautomeric states and crystal structure of (Z)-ethyl 2-cyano-2-(3H-quinazoline-4-ylidene) acetate and (Z)-ethyl 2-cyano-2-(2-methyl-3H-quinazoline-4-ylidene) acetate.

scientific article published on 30 September 2005

Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: hints from nano-QSAR studies

scientific article

Use of quantitative structure-enantioselective retention relationship for the liquid chromatography chiral separation prediction of the series of pyrrolidin-2-one compounds

scientific article published on 26 November 2011

Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles

scientific article published on 13 February 2011

Zeta Potential for Metal Oxide Nanoparticles: A Predictive Model Developed by a Nano-Quantitative Structure–Property Relationship Approach

article

List of works by Bakhtiyor Rasulev

A Refractive Index Study of a Diverse Set of Polymeric Materials by QSPR with Quantum-Chemical and Additive Descriptors

A chemoinformatics approach for the characterization of hybrid nanomaterials: safer and efficient design perspective

A computational structure-property relationship study of glass transition temperatures for a diverse set of polymers

Aconitum and Delphinium alkaloids "Drug-likeness" descriptors related to toxic mode of action

Aconitum and Delphinium alkaloids of curare-like activity. QSAR analysis and molecular docking of alkaloids into AChBP.

Aconitum and Delphinium sp. alkaloids as antagonist modulators of voltage-gated Na+ channels. AM1/DFT electronic structure investigations and QSAR studies

Aconitum and delphinium diterpenoid alkaloids of local anesthetic activity: comparative QSAR analysis based on GA-MLRA/PLS and optimal descriptors approach

Advancing risk assessment of engineered nanomaterials: application of computational approaches

Amino substituted nitrogen heterocycle ureas as kinase insert domain containing receptor (KDR) inhibitors: Performance of structure-activity relationship approaches

Application of ligand- and receptor-based approaches for prediction of the HIV-RT inhibitory activity of fullerene derivatives

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

CORAL: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical

Carbon Nanotubes' Effect on Mitochondrial Oxygen Flux Dynamics: Polarography Experimental Study and Machine Learning Models using Star Graph Trace Invariants of Raman Spectra.

Causal inference methods to assist in mechanistic interpretation of classification nano-SAR models

Choosing safe dispersing media for C60 fullerenes by using cytotoxicity tests on the bacterium Escherichia coli

Correction: Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms

Estimation of melting points of large set of persistent organic pollutants utilizing QSPR approach

Extraordinarily adaptive properties of the genetically encoded amino acids.

From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles.

Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms

How the toxicity of nanomaterials towards different species could be simultaneously evaluated: a novel multi-nano-read-across approach.

Immunotoxicity of nanoparticles: a computational study suggests that CNTs and C60 fullerenes might be recognized as pathogens by Toll-like receptors

Iridoid glucosides and triterpene acids from Phlomis linearifolia, growing in Uzbekistan and its hepatoprotective activity

Key structural features promoting radical driven degradation of emerging contaminants in water

Metal Oxide Nanoparticles: Size-Dependence of Quantum-Mechanical Properties

Modeling of Glass Transition Temperatures for Polymeric Coating Materials: Application of QSPR Mixture-based Approach

Modeling of photooxidative degradation of aromatics in water matrix; combination of mechanistic and structural-relationship approach

Modeling the Dispersibility of Single Walled Carbon Nanotubes in Organic Solvents by Quantitative Structure-Activity Relationship Approach

Molecular modelling and QSAR analysis of the estrogenic activity of terpenoids isolated from Ferula plants

Nano-QSAR modeling for ecosafe design of heterogeneous TiO2-based nano-photocatalysts

Nanoparticles

Nanoparticles

Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across

Photofragmentation of Tetranitromethane: Spin-Unrestricted Time-Dependent Excited-State Molecular Dynamics

Photofragmentation of the Gas-Phase Lanthanum Isopropylcyclopentadienyl Complex: Computational Modeling vs Experiment.

Photoinduced Charge Transfer versus Fragmentation Pathways in Lanthanum Cyclopentadienyl Complexes

Polymer Coating Materials and Their Fouling Release Activity: A Cheminformatics Approach to Predict Properties

Prediction of key structural features responsible for aromaticity of single-benzene ring pollutants and their photooxidative intermediates

Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: a QSAR study

Preparation and Characterization of Inclusion Complexes of β-Cyclodextrin and Phenolics from Wheat Bran by Combination of Experimental and Computational Techniques

QSAR modeling of acute toxicity by balance of correlations

QSAR modeling of acute toxicity on mammals caused by aromatic compounds: the case study using oral LD50 for rats

QSPR Modeling of the Refractive Index for Diverse Polymers Using 2D Descriptors

Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations

Room temperature synthesis of PbSe quantum dots in aqueous solution: stabilization by interactions with ligands

Structure-activity relationship investigations of leishmanicidal N-benzylcytisine derivatives

Structure-hepatoprotective activity relationship study of sesquiterpene lactones: A QSAR analysis

Structure-toxicity relationships of nitroaromatic compounds.

Structures and Stabilities: Quantum-Chemical Study of Aun (n = 2-2016) Nanoclusters by Extended Huckel and DFT Approaches

Synthesis, tautomeric states and crystal structure of (Z)-ethyl 2-cyano-2-(3H-quinazoline-4-ylidene) acetate and (Z)-ethyl 2-cyano-2-(2-methyl-3H-quinazoline-4-ylidene) acetate.

Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: hints from nano-QSAR studies

Use of quantitative structure-enantioselective retention relationship for the liquid chromatography chiral separation prediction of the series of pyrrolidin-2-one compounds

Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles

Zeta Potential for Metal Oxide Nanoparticles: A Predictive Model Developed by a Nano-Quantitative Structure–Property Relationship Approach