Quantitative structure activity relationship and artificial neural network as vital tools in predicting coordination capabilities of organic compounds with metal surface: A review

A theoretical study of two novel Schiff bases as inhibitors of carbon steel corrosion in acidic medium

(2019) Rahman Padash et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Experimental and theoretical study of Matricaria recutita chamomile extract as corrosion inhibitor for steel in neutral chloride media

(2018) Khaoula Nasr et al.   ANTI-CORROSION METHODS AND MATERIALS

Modelling of Behavior for Inhibition Corrosion of Bronze Using Artificial Neural Network (ANN)

(2018) D. Millán-Ocampo et al.   Entropy

Substituents effect on corrosion inhibition performance of organic compounds in aggressive ionic solutions: A review

(2018) Chandrabhan Verma et al.   JOURNAL OF MOLECULAR LIQUIDS

Anticorrosion studies of some hydantoin derivatives for mild steel in 0.5 M HCl solution: Experimental, quantum chemical, Monte Carlo simulations and QSAR studies

(2018) Lukman O. Olasunkanmi et al.   JOURNAL OF MOLECULAR LIQUIDS

An overview on plant extracts as environmental sustainable and green corrosion inhibitors for metals and alloys in aggressive corrosive media

(2018) Chandrabhan Verma et al.   JOURNAL OF MOLECULAR LIQUIDS

Gravimetric, Electrochemical, Surface Morphology, DFT, and Monte Carlo Simulation Studies on Three N-Substituted 2-Aminopyridine Derivatives as Corrosion Inhibitors of Mild Steel in Acidic Medium

(2018) Chandrabhan Verma et al.   Journal of Physical Chemistry C

Anticorrosive Effects of Some Thiophene Derivatives Against the Corrosion of Iron: A Computational Study

(2018) Lei Guo et al.   Frontiers in Chemistry

A novel thiophene Schiff base as an efficient corrosion inhibitor for mild steel in 1.0 M HCl: Electrochemical and quantum chemical studies

(2018) Fatih Tezcan et al.   JOURNAL OF MOLECULAR LIQUIDS

Quantum Chemical Investigation of the Relationship Between Molecular Structure and Corrosion Inhibition Efficiency of Benzotriazole and its Alkyl-Derivatives on Iron

(2017) Kürşat Efil et al.   Protection of Metals and Physical Chemistry of Surfaces

Electrochemical and quantum chemical studies of azoles as corrosion inhibitors for mild steel in hydrochloric acid

(2016) Weiwei Zhang et al.   CHEMICAL RESEARCH IN CHINESE UNIVERSITIES

Using high throughput experimental data and in silico models to discover alternatives to toxic chromate corrosion inhibitors

(2016) D.A. Winkler et al.   CORROSION SCIENCE

Descriptors and their selection methods in QSAR analysis: paradigm for drug design

(2016) Danishuddin et al.   DRUG DISCOVERY TODAY

Quantitative structure-activity relationship model for prediction study of corrosion inhibition efficiency using two-stage sparse multiple linear regression

(2016) Abdo Mohammed Al-Fakih et al.   JOURNAL OF CHEMOMETRICS

Investigation of the adsorption characteristics of some selected sulphonamide derivatives as corrosion inhibitors at mild steel/hydrochloric acid interface: Experimental, quantum chemical and QSAR studies

(2016) Lutendo C. Murulana et al.   JOURNAL OF MOLECULAR LIQUIDS

The effect of structure parameters on the corrosion inhibition effect of some heterocyclic nitrogen organic compounds

(2016) M.A. Bedair   JOURNAL OF MOLECULAR LIQUIDS

Electrochemical and theoretical investigation of the inhibitory effect of two Schiff bases of benzaldehyde for the corrosion of aluminium in hydrochloric acid

(2016) U.J. Naik et al.   JOURNAL OF MOLECULAR STRUCTURE

Simple Approach to Predict Corrosion Inhibition Efficiency of Imidazole and Benzimidazole Derivatives as well as Linear Organic Compounds Containing Several Polar Functional Groups

(2016) Mohammad Hossein Keshavarz et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

Correlation between molecular features and electrochemical properties using an artificial neural network

(2016) Fiona Fang Chen et al.   MATERIALS & DESIGN

The discussion of descriptors for the QSAR model and molecular dynamics simulation of benzimidazole derivatives as corrosion inhibitors

(2015) Lu Li et al.   CORROSION SCIENCE

Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview

(2015) I.B. Obot et al.   CORROSION SCIENCE

Density Functional Theory and Electrochemical Studies: Structure–Efficiency Relationship on Corrosion Inhibition

(2015) Rosa L. Camacho-Mendoza et al.   Journal of Chemical Information and Modeling

Development of quantitative structure activity relationship (QSAR) model for disinfection byproduct (DBP) research: A review of methods and resources

(2015) Baiyang Chen et al.   JOURNAL OF HAZARDOUS MATERIALS

Quantum chemical and experimental investigations on inhibitory behavior of amino–imino tautomeric equilibrium of 2-aminobenzothiazole on steel corrosion in H2SO4 solution

(2015) I. Danaee et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Quantum chemical study on the inhibition efficiencies of some sym-triazines as inhibitors for mild steel in acidic medium

(2015) Dilara Ozbakir Isin et al.   Journal of the Taiwan Institute of Chemical Engineers

The investigation of corrosion inhibition efficiency on some benzaldehyde thiosemicarbazones and their thiole tautomers: Computational study

(2015) Nihat Karakus et al.   Journal of the Taiwan Institute of Chemical Engineers

Some Phthalocyanine and Naphthalocyanine Derivatives as Corrosion Inhibitors for Aluminium in Acidic Medium: Experimental, Quantum Chemical Calculations, QSAR Studies and Synergistic Effect of Iodide Ions

(2015) Masego Dibetsoe et al.   MOLECULES

Porphyrins as Corrosion Inhibitors for N80 Steel in 3.5% NaCl Solution: Electrochemical, Quantum Chemical, QSAR and Monte Carlo Simulations Studies

(2015) Ambrish Singh et al.   MOLECULES

Density functional theory and molecular dynamics simulation study on corrosion inhibition performance of mild steel by mercapto-quinoline Schiff base corrosion inhibitor

(2015) Sourav Kr. Saha et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Imidazolium-based ionic liquids as modulators of corrosion inhibition of SDS on mild steel in hydrochloric acid solutions: experimental and theoretical studies

(2015) Ali Yousefi et al.   RSC Advances

Theoretical and experimental studies on the corrosion inhibition potentials of some purines for aluminum in 0.1M HCl

(2015) Nnabuk O. Eddy et al.   Journal of Advanced Research

Corrosion inhibition of some azole derivatives on carbon steel in hydrochloric acid solution

(2014) B.P. Markhali et al.   ANTI-CORROSION METHODS AND MATERIALS

Quantitative structure–activity relationship model for amino acids as corrosion inhibitors based on the support vector machine and molecular design

(2014) Hongxia Zhao et al.   CORROSION SCIENCE

Theoretical evaluation of corrosion inhibition performance of some pyrazine derivatives

(2014) I.B. Obot et al.   CORROSION SCIENCE

Towards chromate-free corrosion inhibitors: structure–property models for organic alternatives

(2014) D. A. Winkler et al.   GREEN CHEMISTRY

Prediction of corrosion susceptibilities of Al-based metal matrix composites reinforced with SiC particles using artificial neural network

(2014) Remzi Tuntas et al.   JOURNAL OF COMPOSITE MATERIALS

Combined Computational and Experimental Study on the Adsorption and Inhibition Effects of N2O2 Schiff Base on the Corrosion of API 5L Grade B Steel in 1 mol/L HCl

(2014) Hojat Jafari et al.   JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY

The Identification and Characterization of Organic Corrosion Inhibitors: Correlation of a Computational Model with Experimental Results

(2014) S. K. Mondal et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Modeling of synergistic halide additives' effect on the corrosion of aluminum in basic solution containing dye

(2014) Ahmed El Nemr et al.   MATERIALS CHEMISTRY AND PHYSICS

QSAR-Based Models for Designing Quinazoline/Imidazothiazoles/Pyrazolopyrimidines Based Inhibitors against Wild and Mutant EGFR

(2014) Jagat Singh Chauhan et al.   PLoS One

Enalos KNIME nodes: Exploring corrosion inhibition of steel in acidic medium

(2013) Georgia Melagraki et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Correlated ab Initio and Electroanalytical Study on Inhibition Behavior of 2-Mercaptobenzothiazole and Its Thiole–Thione Tautomerism Effect for the Corrosion of Steel (API 5L X52) in Sulphuric Acid Solution

(2013) Majid Gholami et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Electrochemical and quantum chemical studies of N,N′-bis(4-hydroxybenzaldehyde)-2,2-dimethylpropandiimine Schiff base as corrosion inhibitor for low carbon steel in HCl solution

(2013) Hojat Jafari et al.   JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING

Quantum chemical calculation for the inhibitory effect of compounds

(2013) A. Y. Musa et al.   JOURNAL OF STRUCTURAL CHEMISTRY

Quantum chemical and molecular dynamics studies of imidazoline derivatives as corrosion inhibitor and quantitative structure–activity relationship (QSAR) analysis using the support vector machine (SVM) method

(2013) Lei Du et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Modeling of corrosion reaction data in inhibited acid environment using regressions and artificial neural networks

(2013) Anees Abdullah Khadom   KOREAN JOURNAL OF CHEMICAL ENGINEERING

A Novel Hydrazinecarbothioamide as a Potential Corrosion Inhibitor for Mild Steel in HCl

(2013) Ahmed Al-Amiery et al.   Materials

Computer-Aided Molecular Design of Ionic Liquids: An Overview

(2012) Derick C. Weis et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Quantitative Structure–Property Relationship Modeling of Diverse Materials Properties

(2012) Tu Le et al.   CHEMICAL REVIEWS

A new cluster model based descriptor for structure-inhibition relationships: A study of the effects of benzimidazole, aniline and their derivatives on iron corrosion

(2012) Mehdi Mousavi et al.   CORROSION SCIENCE

Electrochemical and Quantum Chemical Investigation of Some Azine and Thiazine Dyes as Potential Corrosion Inhibitors for Mild Steel in Hydrochloric Acid Solution

(2012) Eno E. Ebenso et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Experimental and Theoretical Study on the Inhibition Performances of Quinoxaline and Its Derivatives for the Corrosion of Mild Steel in Hydrochloric Acid

(2012) JiaJun Fu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Experimental and Quantum Chemical Studies of Some Bis(trifluoromethyl-sulfonyl) Imide Imidazolium-Based Ionic Liquids as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid Solution

(2012) Lutendo C. Murulana et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Computational studies of the corrosion-inhibition efficiency of iron by triazole surfactants

(2012) M'hamed Touil et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Effect of hydroxyl group position on adsorption behavior and corrosion inhibition of hydroxybenzaldehyde Schiff bases: Electrochemical and quantum calculations

(2012) I. Danaee et al.   JOURNAL OF MOLECULAR STRUCTURE

Performance of some thiophene derivatives as corrosion inhibitors for 304 stainless steel in aqueous solutions

(2012) A. S. Fouda et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Monitoring corrosion and corrosion control of iron in HCl by non-ionic surfactants of the TRITON-X series – Part III. Immersion time effects and theoretical studies

(2011) Mohammed A. Amin et al.   CORROSION SCIENCE

Modeling corrosion inhibition of iron in acid medium by genetic function approximation method: A QSAR model

(2011) K.F. Khaled   CORROSION SCIENCE

Quantum chemical studies on corrosion inhibition for series of thio compounds on mild steel in hydrochloric acid

(2011) Ahmed Y. Musa et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

Quantitative structure activity relationships of some pyridine derivatives as corrosion inhibitors of steel in acidic medium

(2011) El Sayed H. El Ashry et al.   JOURNAL OF MOLECULAR MODELING

Quantum chemical investigation and statistical analysis of the relationship between corrosion inhibition efficiency and molecular structure of xanthene and its derivatives on mild steel in sulphuric acid

(2011) N.O. Obi-Egbedi et al.   JOURNAL OF MOLECULAR STRUCTURE

The Impact of Corrosion on Society

(2011) C. M. Hansson   METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE

Applications of chemometric tools in corrosion studies

(2010) Giorgio Luciano et al.   CORROSION SCIENCE

Electrochemical and quantum chemical studies of some indole derivatives as corrosion inhibitors for C38 steel in molar hydrochloric acid

(2010) M. Lebrini et al.   CORROSION SCIENCE

Adsorption properties and inhibition of mild steel corrosion in hydrochloric solution by some newly synthesized diamine derivatives: Experimental and theoretical investigations

(2010) L. Herrag et al.   CORROSION SCIENCE

A theoretical study on the inhibition efficiencies of some amino acids as corrosion inhibitors of nickel

(2010) Gökhan Gece et al.   CORROSION SCIENCE

Investigation of some Schiff base compounds containing disulfide bond as HCl corrosion inhibitors for mild steel

(2010) M. Behpour et al.   CORROSION SCIENCE

QSAR of lauric hydrazide and its salts as corrosion inhibitors by using the quantum chemical and topological descriptors

(2010) El Sayed H. El Ashry et al.   CORROSION SCIENCE

On the relationship between corrosion inhibiting effect and molecular structure of 2,5-bis(n-pyridyl)-1,3,4-thiadiazole derivatives in acidic media: Ac impedance and DFT studies

(2010) F. Bentiss et al.   CORROSION SCIENCE

Quantum chemical studies of some rhodanine azosulpha drugs as corrosion inhibitors for mild steel in acidic medium

(2010) Eno E. Ebenso et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

QSAR, DFT and quantum chemical studies on the inhibition potentials of some carbozones for the corrosion of mild steel in HCl

(2010) Nnabuk O. Eddy et al.   JOURNAL OF MOLECULAR MODELING

Experimental, Monte Carlo and molecular dynamics simulations to investigate corrosion inhibition of mild steel in hydrochloric acid solutions

(2010) K.F. Khaled et al.   Arabian Journal of Chemistry

Enhanced corrosion resistance of carbon steel in normal sulfuric acid medium by some macrocyclic polyether compounds containing a 1,3,4-thiadiazole moiety: AC impedance and computational studies

(2009) F. Bentiss et al.   CORROSION SCIENCE

Quantum chemical studies on corrosion inhibition of some lactones on mild steel in acid media

(2009) E. Jamalizadeh et al.   CORROSION SCIENCE

Artificial neural network corrosion modeling for metals in an equatorial climate

(2009) Elaine D. Kenny et al.   CORROSION SCIENCE

Prediction of corrosion behavior using neural network as a data mining tool

(2009) Mst Kamrunnahar et al.   CORROSION SCIENCE

Corrosion inhibition of mild steel in hydrochloric acid solution by some double Schiff bases

(2009) N. Soltani et al.   CORROSION SCIENCE

ac impedance, X-ray photoelectron spectroscopy and density functional theory studies of 3,5-bis(n-pyridyl)-1,2,4-oxadiazoles as efficient corrosion inhibitors for carbon steel surface in hydrochloric acid solution

(2009) Moha Outirite et al.   ELECTROCHIMICA ACTA

Theoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic medium

(2009) Eno E. Ebenso et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Adsorption, synergistic inhibitive effect and quantum chemical studies of ampicillin (AMP) and halides for the corrosion of mild steel in H2SO4

(2009) Nnabuk O. Eddy et al.   JOURNAL OF APPLIED ELECTROCHEMISTRY

Quantum chemical study of the inhibition of the corrosion of mild steel in H2SO4 by some antibiotics

(2009) Nnabuk O. Eddy et al.   JOURNAL OF MOLECULAR MODELING

Phenyl-substituted amino thiadiazoles as corrosion inhibitors for copper in 0.5M H2SO4

(2009) Yong-Ming Tang et al.   MATERIALS CHEMISTRY AND PHYSICS

Investigation on inhibition behavior of S-triazole–triazole derivatives in acidic solution

(2008) Weihua Li et al.   CORROSION SCIENCE

Quantum chemical studies on the corrosion inhibition of some sulphonamides on mild steel in acidic medium

(2008) Taner Arslan et al.   CORROSION SCIENCE

Corrosion inhibition of carbon steel in hydrochloric acid by furan derivatives

(2008) E. Machnikova et al.   ELECTROCHIMICA ACTA

Artificial neural network for the evaluation of CO2 corrosion in a pipeline steel

(2008) A. Bassam et al.   JOURNAL OF SOLID STATE ELECTROCHEMISTRY

Inhibitive properties, adsorption and a theoretical study of 3,5-bis(n-pyridyl)-4-amino-1,2,4-triazoles as corrosion inhibitors for mild steel in perchloric acid

(2007) Mounim Lebrini et al.   CORROSION SCIENCE

Aminic nitrogen-bearing polydentate Schiff base compounds as corrosion inhibitors for iron in acidic media: A quantum chemical calculation

(2007) Hong Ju et al.   CORROSION SCIENCE

Corrosion inhibitors part V: QSAR of benzimidazole and 2-substituted derivatives as corrosion inhibitors by using the quantum chemical parameters

(2007) El Sayed H. El Ashry et al.   PROGRESS IN ORGANIC COATINGS