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List of works by Jahan Bakhsh Ghasemi

2D Quantitative structure-property relationship study of mycotoxins by multiple linear regression and support vector machine

scientific article published on 31 August 2010

3D QSAR studies, pharmacophore modeling, and virtual screening of diarylpyrazole-benzenesulfonamide derivatives as a template to obtain new inhibitors, using human carbonic anhydrase II as a model protein.

scientific article published in December 2017

3D-QSAR analysis of human immunodeficiency virus entry-1 inhibitors by CoMFA and CoMSIA.

scientific article published on 10 August 2010

3D-QSAR studies on the toxicity of substituted benzenes to Tetrahymena pyriformis: CoMFA, CoMSIA and VolSurf approaches

scientific article published on 15 March 2014

4D-LQTA-QSAR and docking study on potent Gram-negative specific LpxC inhibitors: a comparison to CoMFA modeling

scientific article published on 30 November 2011

A QSPR study on the GC retention times of a series of fatty, dicarboxylic and amino acids by MLR and ANN

scientific article published on 01 September 2007

A detailed structural study of cytotoxicity effect of ionic liquids on the leukemia rat cell line IPC-81 by three dimensional quantitative structure toxicity relationship

scientific article published on 01 August 2018

A new algorithm for the determination of protolytic constants from spectrophotometric data in multiwavelength mode: Calculations of acidity constants of 4-(2-pyridylazo)resorcinol (PAR) in mixed nonaqueous-water solvents

scientific article

A new polymerizable fluorescent PET chemosensor of fluoride (F-) based on naphthalimide-thiourea dye.

scientific article published on 21 January 2012

A potentiometeric study of protonation and complex formation of xylenol orange with alkaline earth and aluminum ions

scientific article published on 01 August 1998

A quantitative structure property relationship for prediction of solubilization of hazardous compounds using GA-based MLR in CTAB micellar media

scientific article published on 26 March 2008

A quantitative structure- property relationship of gas chromatographic/mass spectrometric retention data of 85 volatile organic compounds as air pollutant materials by multivariate methods.

scientific article

A rapid, automated gradient flow injection-spectrophotometric technique for study of metal complexation reactions

scientific article

Alignment independent 3D-QSAR, quantum calculations and molecular docking of Mer specific tyrosine kinase inhibitors as anticancer drugs.

scientific article published on 31 March 2015

An ultrasensitive fluorescence sensor for determination of trace levels of copper in blood samples

scientific article published on 09 July 2019

Application of Multivariate Linear and Nonlinear Calibration and Classification Methods in Drug Design

scientific article published on 03 August 2015

Application of genetic algorithm and multivariate methods in detection and measurement of milk-surfactant adulteration by attenuated total reflection and near-infrared spectroscopy

scientific article published on 19 October 2020

Application of multivariate optimization procedures for preconcentration and determination of Au(III) and Pt(IV) in aqueous samples with graphene oxide by X-ray fluorescence spectrometry.

scientific article

Characterization of the interaction of glycyrrhizin and glycyrrhetinic acid with bovine serum albumin by spectrophotometric-gradient flow injection titration technique and molecular modeling simulations.

scientific article

Chemometric analysis of comprehensive two dimensional gas chromatography-mass spectrometry metabolomics data.

scientific article

Combating Diseases with Computational Strategies Used for Drug Design and Discovery

scientific article published on 01 January 2018

Combination of genetic algorithm and partial least squares for cloud point prediction of nonionic surfactants from molecular structures

scientific article published on January 2007

Combined docking, molecular dynamics simulations and spectroscopic studies for the rational design of a dipeptide ligand for affinity chromatography separation of human serum albumin.

scientific article

Comparative molecular field analysis and comparative molecular similarity index analysis studies on 1H NMR chemical shift of NH group of diaryl triazene derivatives

scientific article published on 4 March 2013

Computer-aided scaffold hopping to identify a novel series of casein kinase 1 delta (CK1d) inhibitors for amyotrophic lateral sclerosis.

scientific article

Conductometric simultaneous determination of acetic acid, monochloroacetic acid and trichloroacetic acid using orthogonal signal correction-partial least squares

scientific article published on 19 October 2005

Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery

scientific article published on 08 November 2019

Design and Synthesis of Novel Cytotoxic Indole-Thiosemicarbazone Derivatives: Biological Evaluation and Docking Study

scientific article published on 03 April 2019

Design and synthesis of novel pyrazole-phenyl semicarbazone derivatives as potential α-glucosidase inhibitor: Kinetics and molecular dynamics simulation study

scientific article published on 03 November 2020

Developing a highly selective method for preconcentration and determination of cobalt in water and nut samples using 1-(2-pyridylazo)-2-naphthol and UV-visible spectroscopy

scientific article published on 06 February 2020

Development of a model to predict partition coefficient of organic pollutants in cloud point extraction process

scientific article published on May 2006

Discovery of new potential antimalarial compounds using virtual screening of ZINC database.

scientific article published in January 2015

Docking of Natural Products against Neurodegenerative Diseases: General Concepts.

scientific article published on 13 March 2018

Docking, CoMFA and CoMSIA studies of a series of sulfonamides derivatives as carbonic anhydrase I inhibitors

scientific article

Dual-acting of Hybrid Compounds - A New Dawn in the Discovery of Multi-target Drugs: Lead Generation Approaches.

scientific article

Dynamic structure based pharmacophore modeling of the Acetylcholinesterase reveals several potential inhibitors

scientific article published on 17 May 2018

Editorial: In Silico Methodologies Applied to Drug Discovery

scientific article published on 01 January 2018

Enhanced visible-light-driven photocatalysis of in-situ reduced of bismuth on BiOCl nanosheets and montmorillonite loading: Synergistic effect and mechanism insight

scientific article published in 2022

Experimental and theoretical investigation effect of flavonols antioxidants on DNA damage.

scientific article published on 9 July 2015

Experimental, computational and chemometrics studies of BSA-vitamin B6 interaction by UV-Vis, FT-IR, fluorescence spectroscopy, molecular dynamics simulation and hard-soft modeling methods

scientific article published on 30 July 2016

Exploring 3D-QSPR models of human skin permeability for a diverse dataset of chemical compounds

scientific article published on 01 October 2019

Extraction optimization of pepsin-soluble collagen from eggshell membrane by response surface methodology (RSM).

scientific article published on 19 May 2015

Fluorescence turn off-on probe (β-cyclodextrin-hydroxyquinoline) for monitoring of Cd2+ ions and tetracycline

scientific article published on 02 April 2020

Genetic-algorithm-based wavelength selection in multicomponent spectrophotometric determination by PLS: application on copper and zinc mixture.

scientific article published in February 2003

Global and local QSPR models to predict supercooled vapour pressure for organic compounds

scientific article published in December 2015

High-throughput Docking and Molecular Dynamics Simulations towards the Identification of Novel Peptidomimetic Inhibitors against CDC7

scientific article published on 09 July 2018

Identification of Essential 2D and 3D Chemical Features for Discovery of the Novel Tubulin Polymerization Inhibitors

scientific article published on 01 January 2019

Improvement of the Prediction Power of the CoMFA and CoMSIA Models on Histamine H3 Antagonists by Different Variable Selection Methods.

scientific article published on 24 May 2012

In silico studies in drug research against neurodegenerative diseases

scientific article published on 22 August 2017

Kinetic spectrophotometric determination of thiocyanate based on its inhibitory effect on the oxidation of methyl red by bromate

scientific article published on 01 March 2001

Kinetic spectrophotometric determination of trace amounts of palladium by whole kinetic curve and a fixed time method using resazurine sulfide reaction

scientific article

Molecular dynamics simulation and 3D-pharmacophore analysis of new quinoline-based analogues with dual potential against EGFR and VEGFR-2

scientific article published on 12 September 2019

Multi-wavelength spectrophotometric determination of the protolytic constants of tetracycline hydrochloride in some nonaqueous-water mixed solvents: a solvatochromism study

scientific article published on 28 October 2010

Multiwavelength spectrophotometric determination of protolytic constants of 4-(2-pyridylazo) resorcinol (PAR) in binary DMF-water mixtures

scientific article published on 6 January 2005

N-Heterocyclic (4-Phenylpiperazin-1-yl)methanones Derived from Phenoxazine and Phenothiazine as Highly Potent Inhibitors of Tubulin Polymerization

scientific article

New FRET primers for quantitative real-time PCR

scientific article published in April 2007

New buffers to improve the quantitative real-time polymerase chain reaction

scientific article published on 7 August 2007

New unsymmetrical cyanine dyes for real-time thermal cycling.

scientific article published on 04 August 2007

Novel fused 1,2,3-triazolo-benzodiazepine derivatives as potent anticonvulsant agents: design, synthesis, in vivo, and in silico evaluations

scientific article published on 20 March 2019

Pharmacophore Identification, Molecular Docking, Virtual Screening, and In Silico ADME Studies of Non-Nucleoside Reverse Transcriptase Inhibitors

scientific article published on 30 November 2012

Prediction of gas chromatography/electron capture detector retention times of chlorinated pesticides, herbicides, and organohalides by multivariate chemometrics methods

scientific article published on 20 February 2007

Proteochemometric Modeling of the Interaction Space of Carbonic Anhydrase and its Inhibitors: An Assessment of Structure-based and Sequence-based Descriptors.

scientific article published on 15 November 2016

QSAR models for CXCR2 receptor antagonists based on the genetic algorithm for data preprocessing prior to application of the PLS linear regression method and design of the new compounds using in silico virtual screening.

scientific article

QSPR prediction of aqueous solubility of drug-like organic compounds.

scientific article published in April 2007

Quantitative Characterization of the Interaction Space of the Mammalian Carbonic Anhydrase Isoforms I, II, VII, IX, XII, and XIV and their Inhibitors, Using the Proteochemometric Approach

scientific article published on 26 April 2016

Quantitative structure-property relationship study of n-octanol-water partition coefficients of some of diverse drugs using multiple linear regression

scientific article published on 11 October 2007

Second-order data obtained by beta-cyclodextrin complexes: a novel approach for multicomponent analysis with three-way multivariate calibration methods

scientific article

Simultaneous determination of binary solution of triphenylmethane dyes in complex matrices onto magnetic amino-rich SWCNT using second-order calibration method

scientific article

Simultaneous multicomponent spectrophotometric monitoring of methyl and propyl parabens using multivariate statistical methods after their preconcentration by robust ionic liquid-based dispersive liquid-liquid microextraction

scientific article published on 21 November 2013

Simultaneous spectrophotometric determination of crystal violet and malachite green in water samples using partial least squares regression and central composite design after preconcentration by dispersive solid-phase extraction.

scientific article published on 30 March 2017

Simultaneous spectrophotometric determination of nitroaniline isomers after cloud point extraction by using least-squares support vector machines.

scientific article published on 22 December 2006

Simultaneous spectrophotometric determination of trace amount of polycyclic aromatic hydrocarbons in water samples after magnetic solid-phase extraction by using projection pursuit regression

scientific article published on 12 June 2012

Simultaneous spectrophotometric determination of trace amounts of uranium, thorium, and zirconium using the partial least squares method after their preconcentration by alpha-benzoin oxime modified Amberlite XAD-2000 resin

scientific article published in January 2010

Simultaneous square wave voltammetric determination of 2-mercaptobenzothiazole and 2-mercaptobenzoxazole by partial least squares method in water samples

scientific article published on 15 June 2007

Simultaneous voltammetric determination of morphine and noscapine by adsorptive differential pulse stripping method and least-squares support vector machines

scientific article published on 13 June 2007

Spectrophotometric and thermodynamic study on the dimerization equilibrium of ionic dyes in water by chemometrics method

scientific article published on 7 February 2006

Spectrophotometric determination of acidity constants of alizarine red S in water, water-Brij-35 and water-SDS micellar media solutions.

scientific article published on 18 January 2006

Spectrophotometric determination of acidity constants of some anthraquinones and anthrones in methanol-water mixtures

scientific article published on 01 May 1993

Spectrophotometric determination of trace amounts of fluoride using an Al-xylenol orange complex as a colored reagent

scientific article published in October 2009

Spectrophotometric simultaneous determination of nitroaniline isomers by orthogonal signal correction-partial least squares.

scientific article published in March 2005

Spectrophotometric study of the effects of surfactants and ethanol on the acidity constants of fluorescein

scientific article published on 21 March 2008

Spectrophotometric-chemometrics study of the effect of solvent composition and temperature on the spectral shape and shift of copper and nickel phthalocyanines in different aqueous-nonaqueous mixed solvents

scientific article published on 16 October 2019

Spectroscopic characterization of thiazole orange-3 DNA interaction

scientific article published on 9 February 2008

Study of Complex Formation between 4-(2-Pyridylazo) Resorcinol and Al3+, Fe3+, Zn2+, and Cd2+Ions in an Aqueous Solution at 0.1 M Ionic Strength

Surfactant-mediated complex formation for determination of traces amounts of zinc, cadmium, and lead with 4-(2-thiazolylazo) resorcinol and chemometric methods

scientific article published on 17 March 2011

Synthesis and cholinesterase inhibitory activity of new 2-benzofuran carboxamide-benzylpyridinum salts

scientific article published on 06 June 2018

The Effect of Single and Double Acetylation of Lysine Residues on Structural and Dynamical Features of Human Splicing Factor TDP-43 - A Statistical Ensemble Analysis

scientific article published on 01 January 2018

Thermodynamic characterization of the dimerization equilibrium of an asymmetric dye by spectral titration and chemometric analysis

scientific article published in March 2004

Thermodynamic study of β-cyclodextrin-dye inclusion complexes using gradient flow injection technique and molecular modeling.

scientific article

Thermodynamics study of the dimerization equilibria of rhodamine B and 6G in different ionic strengths by photometric titration and chemometrics method.

scientific article published in November 2005

Ultrasound-assisted ionic liquid-based microextraction combined with least squares support vector machines regression for the simultaneous determination of aluminum, gallium, and indium in water and coal samples

scientific article published on 27 July 2011

Voltammetric Electronic Tongue for the Simultaneous Determination of Three Benzodiazepines

scientific article published on 16 November 2019

Voltammetric sensing of oxacillin by using a screen-printed electrode modified with molecularly imprinted polyaniline, gold nanourchins and graphene oxide

scientific article published on 16 November 2019

beta-Correction as a preprocessing method for partial least squares in simultaneous determination of zinc and lead

scientific article published in June 2004

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