
T (+98) 23 352 20220
Email: international@du.ac.ir
Damghan University
University Blvd, Damghan, IR
Associate Professor of Analytical Chemistry
DOI: 10.1080/03601234.2017.1283139
AUTHOR KEYWORDS: bee algorithm; Pesticides; quantitative structure property relationship (QSPR); shuffling cross–validation; variable selection method
INDEX KEYWORDS: Chromatography; Data flow analysis; Genetic algorithms; Linear regression; Mean square error; Pesticides; Simulated annealing; Statistical tests; Support vector machines, Bee Algorithm; Biopartitioning micellar chromatographies; Correlation coefficient; Multiple linear regressions; Quantitative structure property relationships; Root mean square errors; Simulated annealing method; Variable selection methods, Optimization, chromatography; genetic algorithm; honeybee; model validation; optimization; partitioning; pesticide; quantitative analysis; simulated annealing; water retention, Apis mellifera; Apoidea, micelle; pesticide, algorithm; chemical model; chemical phenomena; chemistry; chromatography; hydrogen bond; micelle; procedures; quantitative structure activity relation; reproducibility; statistical model; support vector machine, Algorithms; Chromatography; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Linear Models; Micelles; Models, Chemical; Pesticides; Quantitative Structure-Activity Relationship; Reproducibility of Results; Support Vector Machine
PUBLISHER: Taylor and Francis Inc.
DOI: 10.2174/1386207320666170315123604
AUTHOR KEYWORDS: Drugs; Feature selection.; Harmony search; Lipophilicity; QSPR
INDEX KEYWORDS: atenolol; atorvastatin; carbamazepine; celecoxib; chlorpromazine; clofazimine; clopidogrel; diltiazem; duloxetine; flufenamic acid; fluoxetine; flurbiprofen; glimepiride; indometacin; ketorolac; levetiracetam; loratadine; mebendazole; miconazole; milnacipran; naproxen; omeprazole; pantoprazole; quetiapine; ranitidine; rimonabant; rosiglitazone; rosuvastatin; sertraline; unindexed drug; drug; lipid, acidity; algorithm; Article; calculation; combinatorial chemistry; comparative study; data analysis software; feature selection; genetic algorithm; genetic selection; harmony search; high throughput screening; lipophilicity; mathematical model; memory; multiple linear regression analysis; principal component analysis; priority journal; quantitative structure activity relation; quantitative structure property relation; quantum chemistry; simulation; ultra performance liquid chromatography; validation study; chemical model; chemistry; computer aided design; conformation; drug design; software; statistical model, Algorithms; Computer-Aided Design; Drug Design; Linear Models; Lipids; Models, Chemical; Molecular Conformation; Pharmaceutical Preparations; Quantitative Structure-Activity Relationship; Software
PUBLISHER: Bentham Science Publishers B.V.
DOI: 10.1007/s10311-016-0561-7
AUTHOR KEYWORDS: Aqueous solubility; Chlorinated hydrocarbons; Genetic algorithm; Quantitative structure–property relationship; Support vector machine
PUBLISHER: Springer Verlag
DOI: 10.1016/j.jscs.2013.03.009
AUTHOR KEYWORDS: Ant colony optimization; Anthraquinone; QSPR; λmax
PUBLISHER: Elsevier B.V.
DOI: 10.1007/s00216-015-9250-9
AUTHOR KEYWORDS: DNA-LNA probe; Lateral-flow strip tests; miRNA; Molecular beacon (MB); Structurally responsive assay
INDEX KEYWORDS: Coenzymes; Oligonucleotides; Probes; Proteins; Software testing, Clinical application; Lateral Flow; Lna probes; miRNA; Molecular beacon; Oligonucleotide probes; Quantitative evaluation; Sensitive detection, RNA, gold; metal nanoparticle; microRNA; oligonucleotide probe, blood; chemistry; devices; genetic procedures; human; limit of detection; oligonucleotide probe; point of care system; procedures, Biosensing Techniques; Gold; Humans; Limit of Detection; Metal Nanoparticles; MicroRNAs; Oligonucleotide Probes; Point-of-Care Systems
PUBLISHER: Springer Verlag
DOI: 10.1007/s00044-014-0933-0
AUTHOR KEYWORDS: 3D-QSAR; Aminopyrazolopyridine urea; CoMFA; CoMFA region focusing; CoMSIA; VEGFR kinase inhibitors
INDEX KEYWORDS: aminopyrazolopyridine urea derivative; aminopyridine derivative; unclassified drug; vasculotropin receptor, article; binding affinity; comparative molecular field analysis; comparative molecular similarity indices analysis; correlation coefficient; drug design; drug structure; enzyme inhibition; hydrogen bond; IC 50; physical chemistry; quantitative structure activity relation
PUBLISHER: Birkhauser Boston
DOI: 10.1007/s10953-014-0143-x
AUTHOR KEYWORDS: Aromatic pollutants; MARS; QSAR; Radical degradation; Rate constant
PUBLISHER: Springer New York LLC
DOI: 10.1007/s00128-014-1253-2
AUTHOR KEYWORDS: ANFIS; Bee algorithm; QSAR; Substituted benzenes; Toxicity
INDEX KEYWORDS: Algorithms; Benzene; Fuzzy systems; Toxicity; Tracking (position), Adaptive neuro-fuzzy inference system; ANFIS; Bee Algorithm; QSAR; Quantitative structure-activity relationships; Squared correlation coefficients; Substituted benzenes; Three-dimensional descriptors, Computational chemistry, Apoidea; Tetrahymena pyriformis, benzene, algorithm; animal; article; chemical model; fuzzy logic; methodology; quantitative structure activity relation; Tetrahymena pyriformis; toxicity testing; water pollutant, Algorithms; Animals; Benzene; Fuzzy Logic; Models, Chemical; Quantitative Structure-Activity Relationship; Tetrahymena pyriformis; Toxicity Tests; Water Pollutants, Chemical
PUBLISHER: Springer New York LLC
DOI: 10.1016/j.chemolab.2013.07.010
AUTHOR KEYWORDS: ANFIS; Bee algorithm; Energetic nitrogen containing compounds; Heats of combustion
INDEX KEYWORDS: acyclic nitramine; chemical compound; cyclic nitramine; nitrate ester; nitroaliphatic compound; polynitro arene; polynitro heteroarene; unclassified drug, article; bee; chemical interaction; chemical reaction kinetics; chemical structure; classification algorithm; combustion; computer prediction; controlled study; correlation coefficient; energy transfer; fuzzy system; genetic algorithm; heat acclimatization; mathematical model; multiple linear regression analysis; nonhuman; priority journal; process optimization; quantitative structure property relationship model; validation process
DOI: 10.1016/S1004-9541(13)60483-8
AUTHOR KEYWORDS: alkane; flash point; hydrogen perturbation; molecular connectivity indices; quantitative structure property relationship
INDEX KEYWORDS: Average absolute deviation; Flash points; Molecular connectivity indexes; Property predictions; Quantitative structure - property relationships; Stepwise multiple linear regression; Straight-forward method; Topological properties, Graph theory; Hydrogen, Paraffins
DOI: 10.1007/s10953-013-9972-2
AUTHOR KEYWORDS: ANFIS; CART; Halogenated hydrocarbons; Infinite dilution activity coefficient
DOI: 10.1007/s10953-012-9919-z
AUTHOR KEYWORDS: Hydrogen perturbation; Molar refraction; Molar volume; Molecular connectivity indices; QSPR
DOI: 10.1016/j.cclet.2012.07.006
AUTHOR KEYWORDS: λ max; Ant colony optimization; Azo dyes; QSPR
AUTHOR KEYWORDS: Ionic liquid; MARS; Melting point; Pyridinium bromides; QSPR
DOI: 10.1134/S1061934811070173
AUTHOR KEYWORDS: catalytic determination; linear sweep voltammetry; malachite green; palladium
INDEX KEYWORDS: Ag/AgCl; catalytic determination; Catalytic effects; Interference effects; Limit of detection; Linear dynamic ranges; Linear sweep voltammetry; Malachite green; Reference electrodes; Sensitive method; Ultra trace amount, Carbonate minerals; Dental alloys; Palladium compounds; Reaction rates; Voltammetry, Trace analysis
AUTHOR KEYWORDS: H-Point standard addition method; Kinetic spectrophotometric; Methyl thymol blue; Speciation analysis; Vanadium
DOI: 10.1016/j.jhazmat.2010.03.080
AUTHOR KEYWORDS: Adsorptive linear sweep voltammetry; Antimony; HPSAM; Kinetic determination; Speciation
INDEX KEYWORDS: Adsorptive linear sweep voltammetry; Complexing agents; Electroanalytical techniques; Foreign ions; H-point; High sensitivity; Kinetic determination; Linear sweep voltammetry; Simultaneous kinetic determination; Standard addition method; Water samples, Standards; Voltammetry, Antimony, antimony; pyrogallol, antimony; complexation; electrochemistry; reaction kinetics; speciation (chemistry), adsorption; analytic method; article; controlled study; pH; potentiometry; sensitivity and specificity; standardization; water sampling, Adsorption; Antimony; Catalysis; Electrochemistry; Indicators and Reagents; Kinetics; Polarography; Pyrogallol; Solutions; Water Pollutants, Chemical; Water Supply
DOI: 10.1016/j.fluid.2010.03.023
AUTHOR KEYWORDS: Ant colony optimization; Hydrocarbon; Infinite dilution activity coefficient
INDEX KEYWORDS: 3D geometry; Ant colony optimization; Ant Colony Optimization algorithms; Descriptors; High dimensionality; Infinite dilution activity coefficients; Multiple linear regression method; Quantitative structure property relationships; Quantum-chemical calculation; Root-mean square deviation; Semi-empirical, Activity coefficients; Artificial intelligence; Dilution; Forecasting; Hydrocarbons; Linear regression; Optimization; Quantum chemistry, Algorithms
DOI: 10.1134/S106193481005014X
INDEX KEYWORDS: Adsorbed species; Adsorptive accumulation; Analytical conditions; Catalytic adsorptive stripping; Differential pulse; Factorial design; Hanging mercury drop electrodes; Highly sensitive; Interfering ions; Limit of detection; Polyoxometalates; Pyrocatechol violet; Reduction current; Ultra trace amount; Ultratraces; Voltammetric, Mercury (metal); Stripping (dyes); Trace analysis; Tungsten; Voltammetry, Tungsten compounds
DOI: 10.1016/j.aca.2010.01.024
AUTHOR KEYWORDS: Ant colony optimization; Maximum wavelength; Naphthoquinone; Quantitative structure property relationship
INDEX KEYWORDS: ACO algorithms; Ant colony optimization; Average absolute relative deviations; Feature selection; Meta heuristic algorithm; Multiple linear regression method; Naphthoquinone; Quantitative structure property relationships; Simulated annealing method; Stepwise regression, Artificial intelligence; Feature extraction; Forecasting; Heuristic algorithms; Ketones; Linear regression; Sulfur compounds, Simulated annealing, 1,4 naphthoquinone derivative, algorithm; ant; article; calibration; classification; controlled study; genetic algorithm; intermethod comparison; multiple linear regression analysis; organism colony; priority journal; quantitative structure property relation; regression analysis; statistical model, Algorithms; Animals; Ants; Linear Models; Models, Biological; Models, Molecular; Naphthoquinones; Quantitative Structure-Activity Relationship, Formicidae
Atabati, M., Zarei, K., Abdinasab, E. Classification and regression tree analysis for molecular descriptor selection and binding affinities prediction of imidazobenzodiazepines in quantitative structure-activity relationship studies
(2009) Bulletin of the Korean Chemical Society, 30 (11), pp. 2717-2722.
DOI: 10.5012/bkcs.2009.30.11.2717
AUTHOR KEYWORDS: Benzodiazepine receptor; Binding affinity; CART; Imidazobenzodiazepines; QSAR
INDEX KEYWORDS: 3D structures; Binding affinities; Classification and regression tree; Classification and regression tree analysis; Cross-validation methods; Data sets; Dependent variables; Descriptors; Mean relative error; Molecular descriptors; Optimization method; Predictive power; Quantitative structure-activity relationship studies; Quantitative structure-activity relationships; Receptor binding; Semi-empirical; Tree models; Tree structures, Classification (of information); Optimization; Sulfur compounds; Three dimensional, Binding energy
DOI: 10.1016/j.aca.2009.07.021
AUTHOR KEYWORDS: Adsorptive linear sweep voltammetry; Antimony; Mean centering; Ratio kinetic profiles; Speciation
INDEX KEYWORDS: Adsorptive linear sweep voltammetry; Complexing agents; Electroanalytical method; Electroanalytical techniques; Foreign ions; High sensitivity; Kinetic profiles; Linear sweep voltammetry; Mean centering; Pharmaceutical preparations; Ratio kinetic profiles; Simultaneous kinetic determination; Speciation, Antimony; Voltammetry, Binary mixtures, antimony, adsorption; analytic method; article; calibration; chemical reaction kinetics; electrochemical analysis; potentiometry; priority journal; sensitivity analysis
DOI: 10.1002/jccs.200900030
AUTHOR KEYWORDS: Anti-HIV; HEPT derivatives; HIV-1; Mutant strains; QSAR
PUBLISHER: Chinese Chemical Society Taiwan
DOI: 10.1007/s10809-008-2007-2
INDEX KEYWORDS: Absorption spectra; Ammonia; Copper compounds; Spectroscopic analysis; Vitamins; Wavelength, ANN architecture; Artificial neural network; Ascorbic acid ANN model; Ascorbic acids; Copper(II)-ammonia complex, Citric acid
DOI: 10.1002/jccs.200800110
AUTHOR KEYWORDS: Gas chromatography; Insect; Methyl-substituted alkanes; QSPR; Wavelet neural network
PUBLISHER: Chinese Chemical Society Taiwan
DOI: 10.2116/analsci.23.937
DOI: 10.1002/adic.200790056
INDEX KEYWORDS: detergent; molybdenum; phosphate; silicate, article; artificial neural network; chemistry; evaluation; methodology; principal component analysis; sensitivity and specificity; ultraviolet spectrophotometry, Detergents; Molybdenum; Neural Networks (Computer); Phosphates; Principal Component Analysis; Sensitivity and Specificity; Silicates; Spectrophotometry, Ultraviolet
AUTHOR KEYWORDS: Ascorbic acid; Citric acid; Copper(II)-ammonia complex; H-point standard addition method
DOI: 10.1002/jccs.200700199
AUTHOR KEYWORDS: Aluminum; H-point standard addition method; Iron; PCV
PUBLISHER: Chinese Chemical Society Taiwan
DOI: 10.1016/j.talanta.2005.11.019
AUTHOR KEYWORDS: Catalytic adsorptive stripping voltammetry; Factorial design optimization; Molybdenum
INDEX KEYWORDS: Adsorption; Catalyst activity; Electrodes; Mercury (metal); Optimization; Pulse modulation, Catalytic adsorptive stripping voltammetry; Differential pulse modulation; Factorial design optimization; Potential interfering ions; Voltammetric scan, Molybdenum
PUBLISHER: Elsevier
DOI: 10.1080/00032710600724104
AUTHOR KEYWORDS: ANN; Cobalt; Iron; Nickel; PAN; PC-ANN; PC-WNN; WNN
DOI: 10.1016/j.aca.2005.06.051
AUTHOR KEYWORDS: Cobalt; Direct orthogonal signal correction; Iron; Nickel; PAN; PLS
INDEX KEYWORDS: Cobalt; Least squares approximations; Negative ions; Nickel; Positive ions; Spectrophotometry, Direct orthogonal signal correction; PAN; PLS, Iron, 1 (2 pyridylazo) 2 naphtol; cobalt; iron; nickel; phenol derivative; unclassified drug, absorption spectrophotometry; article; calibration; chemical analysis; chemical model; complex formation; mathematical analysis; micelle; pH; priority journal; regression analysis; statistical model
DOI: 10.1007/s10809-005-0172-0
INDEX KEYWORDS: Carbon; Error analysis; Gas chromatography; Neural networks; Substitution reactions, Carbon chains; Chemical descriptors; Methyl groups; Quantitative structure-property relationship (QSPR), Paraffins
DOI: 10.1016/j.farmac.2004.08.010
AUTHOR KEYWORDS: Fe(II); Fe(III); PC-ANN; PCR; Pharmaceutical formulations; PLS
INDEX KEYWORDS: 1,10 phenanthroline; ferric ion; ferrous ion; iron complex; thiocyanate, accuracy; analytic method; article; artificial neural network; calibration; chemometrics; drug formulation; intermethod comparison; principal component analysis; spectrum, Chemistry, Pharmaceutical; Ferric Compounds; Ferrous Compounds; Spectrophotometry