Journal of Computational Methods in Molecular Design
Citations Report
Journal of Computational Methods in Molecular Design : Citations & Metrics Report
Articles published in Journal of Computational Methods in Molecular Design have been cited by esteemed scholars and scientists all around the world.
Journal of Computational Methods in Molecular Design has got h-index 10, which means every article in Journal of Computational Methods in Molecular Design has got 10 average citations.
Following are the list of articles that have cited the articles published in Journal of Computational Methods in Molecular Design.
|
2020 |
2019 |
2018 |
2017 |
2016 |
Year wise published articles |
37 |
19 |
5 |
7 |
18 |
Year wise citations received |
50 |
34 |
29 |
37 |
39 |
Journal total citations count | 890 |
Journal impact factor | 1.96 |
Journal 5 years impact factor | 2.21 |
Journal cite score | 2.22 |
Journal h-index | 10 |
-
Development of a predictive model for corrosion inhibition of carbon steel by imidazole and benzimidazole derivatives View at Publisher | View at Google Scholar
-
Anti-corrosive Properties and Quantum Chemical Study of (E)-
4-Methoxy-N-(Methoxybenzylidene)Aniline and (E)-N-(4-
Methoxybenzylidene)-4-Nitroaniline Coating on Mild Steel in
Molar Hydrochloric.
View at Publisher | View at Google Scholar
-
DFT Calculations for Corrosion Inhibition of Ferrous Alloys by Pyrazolopyrimidine Derivatives View at Publisher | View at Google Scholar
-
Synthesis of New 1,2,3-Triazole Derivatives of Uracil and Thymine with Potential Inhibitory Activity against Acidic Corrosion of Steels View at Publisher | View at Google Scholar
-
Experimental and theoretical study of [N-substituted] p-aminoazobenzene derivatives as corrosion inhibitors for mild steel in sulfuric acid solution View at Publisher | View at Google Scholar
-
Computational model for the acylation step of the ?-lactam ring: Potential application for l,d-transpeptidase 2 in mycobacterium tuberculosis View at Publisher | View at Google Scholar
-
DFT study on the adsorption mechanism of some phenyltetrazole substituted compounds as effective corrosion inhibitors for mild steel View at Publisher | View at Google Scholar
-
Extensive theoretical study of corrosion inhibition efficiency of some pyrimidine derivatives on iron and the proposal of new inhibitor View at Publisher | View at Google Scholar
-
Pyrimidine derivatives as potential
corrosion inhibitors for steel in acid
medium An overview
View at Publisher | View at Google Scholar
-
The multiply version of Zagreb indices of a family of molecular graph
"polycyclic aromatic hydrocarbons (PAHS)" View at Publisher | View at Google Scholar
-
Experimental and quantum chemical studies on corrosion inhibition performance of fluconazole in hydrochloric acid solution View at Publisher | View at Google Scholar
-
DFT AND QSAR STUDY OF CORROSION
INHIBITION ON 3,5-DI-SUBSTITUTED PYRAZOLE
DERIVATIVES WITH HETEROATOM ON
POSITION ONE View at Publisher | View at Google Scholar
-
Study of Bitter Leaves Extract as Inhibitive Agent in HCl
Medium for the Treatment of Mild Steel through Pickling View at Publisher | View at Google Scholar
-
Study of Some [N-substituted] p-aminoazobenzene as Corrosion Inhibitors for Mild-Steel in 1M H2SO4 View at Publisher | View at Google Scholar
-
New results on eccentric connectivity indices of V-Phenylenic nanotube View at Publisher | View at Google Scholar
-
An Imidazole-Based Antifungal Drug as a Corrosion Inhibitor for Steel in Hydrochloric Acid View at Publisher | View at Google Scholar
-
DFT-QSAR studies on corrosion inhibition efficiency
of derivatives of thiadiazole, oxadiazole and triazole
View at Publisher | View at Google Scholar
-
The Sadhana polynomial and the Sadhana index of polycyclic aromatic
hydrocarbons PAHK View at Publisher | View at Google Scholar
-
Quantum chemical studies on inhibition activities
of 2,3-dihydroxypropyl-sulfanyl derivative on carbon steel
in acidic media View at Publisher | View at Google Scholar
-
Aluminum Corrosion Inhibition by 7-(Ethylthiobenzimidazolyl) Theophylline in 1M Hydrochloric Acid: Experimental and DFT Studie View at Publisher | View at Google Scholar
-
TWO DERIVATIVES OF 7-AMINO-THIAZOLO[3,2-a]PYRIMIDINE AS INHIBITORS
OF MILD STEEL CORROSION IN 1.0 M HCl SOLUTION
PART II: ADSORPTION AND QUANTUM CHEMICAL STUDIES View at Publisher | View at Google Scholar
-
THEORETICAL STUDY ON CORROSION INHIBITION PROPERTIES OF 2-ISOPROPYL-5-METHYLPHENOL View at Publisher | View at Google Scholar
-
Experimental, quantum chemical studies of oxazole derivatives
as corrosion inhibitors on mild steel in molar hydrochloric acid
medium View at Publisher | View at Google Scholar
-
Theoretical assessment of Inhibitive behaviour of some Benzohydrazide Derivatives on Mild Steel. View at Publisher | View at Google Scholar
-
Comparative study of Levofloxacin and its amide derivative
as efficient water soluble inhibitors for mild steel corrosion
in hydrochloric acid solution View at Publisher | View at Google Scholar
-
Computing Sanskruti index of the Polycyclic Aromatic Hydrocarbons View at Publisher | View at Google Scholar
-
SOME ECCENTRICITY BASED TOPOLOGICAL INDICES
OF TETRA SHEETS
View at Publisher | View at Google Scholar
-
StructureActivity Relationships in the Chelation
Activity by Derivatives of 1,2-Dithiole-3-Thiones View at Publisher | View at Google Scholar
-
The Theta Polynomial ?(G,x) and the Theta Index ?(G) of Molecular
Graph Polycyclic Aromatic Hydrocarbons PAHk
View at Publisher | View at Google Scholar
-
Thermodynamic and DFT studies on the behavior of cefadroxil drug as
effective corrosion inhibitor of copper in one molar nitric acid medium View at Publisher | View at Google Scholar
-
THE AVERAGE ECCENTRICITY AND ECCENTRICITY
BASED GEOMETRIC-ARITHMETIC INDEX
OF TETRA SHEETS View at Publisher | View at Google Scholar
-
Synthesis, spectroscopic characterization and molecular docking study of ethyl 2-(4-(5, 9-dihydro-6-hydroxy-2-mercapto-4H-purin-8-ylthio) thiophen-2-yl)-2-oxoacetate molecule for the chemotherapeutic treatment of breast cancer cells View at Publisher | View at Google Scholar
-
ECCENTRICITY BASED GEOMETRIC-ARITHMETIC AND
ATOM-BOND CONNECTIVITY INDICES OF
COPPER OXIDE CuO View at Publisher | View at Google Scholar
-
ECCENTRICITY ATOM-BOND CONNECTIVITY INDEX OF POLYCYCLIC AROMATIC
HYDROCARBON PAHk View at Publisher | View at Google Scholar
-
2-(1-(Benzylimino)ethyl)phenol as anticorrosive compound
supported with Quantum chemical calculations View at Publisher | View at Google Scholar
-
Experimental and Theoretical Studies on the Corrosion Inhibition Performance of Molecules Containing Tert-Butyl Benzyl Group on Mild Steel in Acid Media View at Publisher | View at Google Scholar
-
ECCENTRICITY ATOM-BOND CONNECTIVITY INDEX OF POLYCYCLIC AROMATIC
HYDROCARBON PAHk View at Publisher | View at Google Scholar
-
The second eccentric Zagreb index of the $N^{TH}$ growth of nanostar dendrimer $D_{3}[N]$ View at Publisher | View at Google Scholar
-
OPTIMASI SIFAT INHIBITOR KOROSI SENYAWA THIAAMIDA-PIRAZOLINDOL BERDASARKAN TEORI FUNGSIONAL KERAPATAN View at Publisher | View at Google Scholar
-
Quantum Chemical Approach for the Study of the Phytoconstituents of Araucaria heterophylla Gum (AHG) as Corrosion Inhibitor Using Density Functional Theory (DFT) View at Publisher | View at Google Scholar
-
COMPARATIVE STUDY OF THE INHIBITIVE PROPERTIES OF ETHANOLIC EXTRACT OF GMELINA ARBOREAON CORROSION OF ALUMINIUM IN DIFFERENT MEDIA View at Publisher | View at Google Scholar
-
QSPR ANALYSIS OF CERTAIN DEGREE AND
ECCENTRICITY BASED TOPOLOGICAL INDICES AND
BUTANE DERIVATIVES
View at Publisher | View at Google Scholar
-
Aluminum Corrosion Inhibition by 7-(Ethylthiobenzimidazolyl) Theophylline in 1M Hydrochloric Acid: Experimental and DFT Studies View at Publisher | View at Google Scholar
-
Computing the fourth atom-bond connectivity index of the Polycyclic Aromatic
Hydrocarbons View at Publisher | View at Google Scholar
-
HPLC: Isocratic or Gradient Elution and Assessment of Linearity In Analytical Methods View at Publisher | View at Google Scholar
-
Copper Corrosion Inhibition in 1 M Nitric Acid: Adsorption and Inhibitive
Action of Theophylline View at Publisher | View at Google Scholar
-
Applied Mathematics and Nonlinear Sciences View at Publisher | View at Google Scholar
-
Effect of 2-[substituted-hydrazine]carbothioamide as corrosion inhibitors for mild steel in sulphuric acid solution View at Publisher | View at Google Scholar
-
COMPUTING EDGE VERSION OF Co-PI INDEX OF POLYCYCLIC
AROMATIC HYDROCARBONS (PAHk) View at Publisher | View at Google Scholar
-
EXPERIMENTAL STUDY AND HIGH DIMENSIONAL QSAR MODELLING OF PHENYLPROPANOIDS OF ALPINIA GALANGA AS CORROSION INHIBITORS ON MILD STEEL View at Publisher | View at Google Scholar
-
Experimental and Theoretical Investigations on Copper Corrosion Inhibition by Cefixime Drug in 1M HNO3 Solution View at Publisher | View at Google Scholar
-
Vertex version of co-pi index of the polycyclic aromatic hydrocarbon systems pahk. View at Publisher | View at Google Scholar
-
Surface Activation of Rubber to Enhance the Durability and Chemo-Mechanics of Asphalt View at Publisher | View at Google Scholar
-
GENERAL ZAGREB INDEXES OF A HYDROCARBON MOLECULAR GRAPH â??POLYCYCLIC AROMATIC HYDROCARBONS (PAHK) View at Publisher | View at Google Scholar
-
DENSITY FUNCTIONAL THEORY OF THE
EFFICIENCIES OF
2-PHENYLIMIDAZO[1,2-A]PYRIDINE AND
2-(M-METHOXYPHENYL)IMIDAZO[1,2-A]
PYRIMIDINE
AS CORROSION INHIBITORS FOR MILD STEEL View at Publisher | View at Google Scholar
-
A density functional study of the inhibition of microsomal prostaglandin E2
Synthase-1 by 2-aryl substituted quinazolin-4(3H)-one, pyrido[4,3-d]
pyrimidin-4(3H)-one and pyrido[2,3-d]pyrimidin-4(3H)-one derivatives View at Publisher | View at Google Scholar
-
A density functional study of the inhibition of microsomal prostaglandin E2
Synthase-1 by 2-aryl substituted quinazolin-4(3H)-one, pyrido[4,3-d]
pyrimidin-4(3H)-one and pyrido[2,3-d]pyrimidin-4(3H)-one derivatives View at Publisher | View at Google Scholar
-
45 Years of the KPG Method: A Tribute to Federico Peradejordi View at Publisher | View at Google Scholar
-
A Theoretical Study of the Relationships between Electronic Structure and
Cytotoxicity of a group of N2
-alkylated Quaternary ?-Carbolines against nine
Tumoral Cell Lines View at Publisher | View at Google Scholar
-
A Quantum Chemical Analysis of the Inactivation Rate Constant of the
BoNT/A LC Neurotoxin by some 1,4-Benzoquinone and 1,4-Naphthoquinone
derivatives. View at Publisher | View at Google Scholar
-
A theoretical analysis of the relationships between electronic structure and
HIV-1 integrase inhibition and antiviral activity of a series of
naphthyridinone derivatives View at Publisher | View at Google Scholar
-
A quantum-chemical and docking study of the inhibitory activity of a family
of thienopyrimidine derivatives bearing a chromone moiety against mTOR
Kinase View at Publisher | View at Google Scholar
-
A quantum-chemical analysis of the antiproliferative activity of
N-3-benzimidazolephenylbisamide derivatives against MGC803,
HT29, MKN45 and SW620 cancer cell lines View at Publisher | View at Google Scholar
-
Quantum-chemical and docking studies of 8-hydroxy-quinolines as inhibitors
of the botulinum neurotoxin a light chain (BoNT/A LC) View at Publisher | View at Google Scholar
-
A DFT Analysis of the Inhibition of Carbonic
Anhydrase Isoforms I, II, IX and XII by a Series of
Benzenesulfonamides and
Tetrafluorobenzenesulfonamides View at Publisher | View at Google Scholar
-
OPTIMIZATION OF EXTRACTS AND CONSTITUENTS FROM ALPINIA GALANGA AS
CORROSION INHIBITOR FOR MILD STEEL IN ACIDIC MEDIUM View at Publisher | View at Google Scholar
-
Experimental and quantum chemical studies of some derivative of decahydroacridinedione-1,8 as corrosion inhibitor of steel 17 GS in NS4 solution View at Publisher | View at Google Scholar
-
Platelet-rich plasma for the treatment of knee osteoarthritis: an expert opinion and proposal for a novel classification and coding system View at Publisher | View at Google Scholar
-
Platelet Concentrates in Musculoskeletal Medicine View at Publisher | View at Google Scholar
-
Medical gas plasma promotes blood coagulation via platelet activation View at Publisher | View at Google Scholar
-
Thiamine Hydrochloride as Copper Corrosion Inhibitor in 1M HNO3 View at Publisher | View at Google Scholar
-
Effect of 2-[substituted-hydrazine]carbothioamide as corrosion inhibitors for mild steel in sulphuric acid solution View at Publisher | View at Google Scholar
-
Theoretical Studies of
Anti
-corrosion Properties of
Triphenylimidazole
Derivatives in Corrosion Inhibition of
Carbon Steel in
Acidic
Media via DFT View at Publisher | View at Google Scholar
-
Technical and biological review of authorized medical devices for platelets-rich plasma preparation in the field of regenerative medicine View at Publisher | View at Google Scholar
-
The different modes of docking of a series of benzenesulfonamides and
tetrafluorobenzenesulfonamides to the carbonic anhydrase isoform II View at Publisher | View at Google Scholar
-
Electronic structure and rat fundus serotonin
receptor binding affinity of phenetylamines and
indolealkylamines View at Publisher | View at Google Scholar
-
Regenerative Injectable Therapies: Current Evidence View at Publisher | View at Google Scholar
-
A DFT and Docking study of the relationships between electronic structure
and 5-HT2B receptor binding affinity in N-benzylphenethylamines View at Publisher | View at Google Scholar
-
A quantum-chemical analysis of the relationships between electronic structure
and cytotoxicity, GyrB inhibition, DNA supercoiling inhibition and antitubercular activity of a series of quinolineaminopiperidine hybrid analogues View at Publisher | View at Google Scholar
-
A Predictive Docking study of the interaction of some Benzenesulfinamides
and Tetrafluorobenzenesulfinamides with Human Carbonic Anhydrase
Isoforms I, IX and XII. View at Publisher | View at Google Scholar
-
EXPERIMENTAL AND QUANTUM-CHEMICAL RESEARCHES OF SOME SUBSTITUTED DERIVATIVES OF 1,8-DIOXODECAHYDROACRIDINES AS INHIBITORS OF CORROSION IN CORROSION View at Publisher | View at Google Scholar
-
Inhibition of Fenton reaction is a novel mechanism to explain the therapeutic effect of intra-articular injection of PRP in patients with chronic haemophilic synovitis View at Publisher | View at Google Scholar
-
PRP in wound healing applications View at Publisher | View at Google Scholar
-
Characteristics of L-PRP preparations for treating Achilles tendon rupture within the PATH-2 study View at Publisher | View at Google Scholar
-
CoMSIA and POM analyses of anti-malarial activity of synthetic prodiginines View at Publisher | View at Google Scholar
-
A Comparative Quantification in Cellularity of Bone Marrow Aspirated
with two New Harvesting Devices, and The Non-equivalent Difference
Between A Centrifugated Bone Marrow Concentrate And A Bone
Marrow Aspirate As Biological Injectates, Using A Bi-Lateral Patient
Model View at Publisher | View at Google Scholar
-
Autologous Platelet-Rich Plasma Efficacy in the Field of Regenerative Medicine: Product and Quality Control View at Publisher | View at Google Scholar
-
Tautomeric origin of dual effects of N1-nicotinoyl-3-(4?-hydroxy-3?-methyl phenyl)-5-[(sub)phenyl]-2-pyrazolines on bacterial and viral strains: POM analyses as new efficient bioinformatics platform to predict and optimize bioactivity of drugs View at Publisher | View at Google Scholar
-
Synthesis and pharmacophore modeling of novel quinazolines bearing a biologically active sulfonamide moiety View at Publisher | View at Google Scholar
-
Synthesis and pharmacophore modeling of novel quinazolines bearing a biologically active sulfonamide moiety View at Publisher | View at Google Scholar
-
Transcriptional analysis of mouse wounds grafted with human mesenchymal stem cells and platelets View at Publisher | View at Google Scholar
-
Computational POM and 3D-QSAR evaluation of experimental in vitro HIV-1-Integrase inhibition of amide-containing diketoacids View at Publisher | View at Google Scholar
-
Optimizing Platelet-Rich Plasma (PRP) Injections: A Narrative Review | Biologic Orthopedics Journal View at Publisher | View at Google Scholar
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Density functional theory (DFT) as a powerful tool for designing new organic corrosion inhibitors. Part 1: An overview View at Publisher | View at Google Scholar
-
Electrochemical behavior of steel/acid interface: adsorption and inhibition effect of oligomeric aniline View at Publisher | View at Google Scholar
-
Inhibition of Steel Corrosion in Nitric Acid by Sulfur Containing Compounds View at Publisher | View at Google Scholar
-
Electrochemical Corrosion Behavior of Mild Steel in HCl and
H2SO4 Solutions in Presence of Loquat Leaf Extract View at Publisher | View at Google Scholar
-
Spectroscopic Characterization of Red Onion Skin Tannin and
Its use as Alternative Aluminium Corrosion Inhibitor in
Hydrochloric Acid Solutions View at Publisher | View at Google Scholar
-
Proposing a new empirical adsorption isotherm known as
Adejo-Ekwenchi isotherm View at Publisher | View at Google Scholar
-
Synthesis, inhibition effects and thermodynamic studies of novel substituted
quinoline son the corrosion of mild steel in 1 M HCl solution View at Publisher | View at Google Scholar
-
Adsorption and inhibitive properties of seroquel drug for the corrosion of zinc in 0.1 M hydrochloric acid solution View at Publisher | View at Google Scholar
-
Cashew Nut Testa Tannin: Assessing its Effects on the Corrosion of Aluminium in HCl View at Publisher | View at Google Scholar
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Imidazole derivative as novel effective inhibitor of mild steel corrosion in aqueous sulphuric acid View at Publisher | View at Google Scholar
-
Corrosion inhibition study of 2-(2, 4-dichlorophenyl) -6-Nitro-1, 4-dihydroquinoxaline for carbon steel in hydrochloric acid solution View at Publisher | View at Google Scholar
-
The Development of a Mathematical Model for the Prediction of Corrosion Rate Behaviour for Mild Steel in 0.5 M Sulphuric Acid
View at Publisher | View at Google Scholar
-
Influence of Malus domestica and Caesalpinia bonducella Leaf Extracts on the Corrosion Behaviour of Mild Steel in H2SO4 Solution View at Publisher | View at Google Scholar
-
Intra-Articular Injection of Autologous Microfat and Platelet-Rich Plasma in the Treatment of Knee Osteoarthritis: A Double-Blind Randomized Comparative Study View at Publisher | View at Google Scholar
-
How to improve antifungal bioactivity: POM and DFT study of some chiral amides derivatives of diacetyl-L-tartaric acid and amines View at Publisher | View at Google Scholar
-
Temporomandibular joint biosupplementation using platelet
concentrates: a narrative review View at Publisher | View at Google Scholar
-
Computational POM and DFT Evaluation of Experimental in-vitro Cancer Inhibition of Staurosporine-Ruthenium(II) Complexes: The Power Force of Organometallics in Drug Design View at Publisher | View at Google Scholar
-
Metronidazole derivatives as a new class of antiparasitic agents: synthesis, prediction of biological activity, and molecular properties View at Publisher | View at Google Scholar
-
A Retrospective Analysis of Characteristic Features of Responders and Impaired Patients to a Single Injection of Pure Platelet-Rich Plasma in Knee Osteoarthritis View at Publisher | View at Google Scholar
-
POM analyses for antimicrobial evaluation of thienopyrimidinones derivatives: a rapid method for drug design View at Publisher | View at Google Scholar
-
Platelet-Rich Plasma Applications for Achilles Tendon Repair: A Bridge between Biology and Surgery View at Publisher | View at Google Scholar
-
Red blood cells and their releasates compromise bone marrow-derived human mesenchymal stem/stromal cell survival in vitro View at Publisher | View at Google Scholar
-
OPTIMIZING PLATELET-RICH PLASMA (PRP) INJECTIONS: A NARRATIVE REVIEW View at Publisher | View at Google Scholar
-
Bone Marrow Aspirate Concentrate Is Equivalent to PRP for the Treatment of Knee OA at 1 Year: Letter to the Editor View at Publisher | View at Google Scholar
-
Office-Based Orthobiologic Procedures for Tendons View at Publisher | View at Google Scholar
-
Healing through the lens of immunothrombosis: Biology-inspired, evolution-tailored, and human-engineered biomimetic therapies View at Publisher | View at Google Scholar
-
New design to remove leukocytes from platelet-rich plasma (PRP) based on cell dimension rather than density View at Publisher | View at Google Scholar
-
Level of Evidence on Platelet-rich Plasma in Plastic Surgery View at Publisher | View at Google Scholar
-
Preparation Systems View at Publisher | View at Google Scholar
-
Utilisation des PRP en traumatologie sportive en 2019. Recommandations professionnelles de la Société française de traumatologie du sportUse of platelet-rich plasma in sports medicine in 2019. Guidelines from the French Society of Sports Traumatology View at Publisher | View at Google Scholar
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Les plasmas riches en plaquettes dans les lésions myo-aponévrotiquesPlatelet-rich plasma in myo-aponevrotic lesions View at Publisher | View at Google Scholar
-
Crystallographic study, biological evaluation and DFT/POM/Docking analyses of pyrazole linked amide conjugates: Identification of antimicrobial and antitumor pharmacophore sites View at Publisher | View at Google Scholar
-
Synthesis and antimicrobial activity evaluation of some new
7-substituted quinolin-8-ol derivatives: POM analyses,
docking, and identification of antibacterial pharmacophore
sites View at Publisher | View at Google Scholar
-
A density functional study of the inhibition of microsomal prostaglandin E2
Synthase-1 by 2-aryl substituted quinazolin-4(3H)-one, pyrido[4,3-d]
pyrimidin-4(3H)-one and pyrido[2,3-d]pyrimidin-4(3H)-one derivatives View at Publisher | View at Google Scholar
-
A density functional study of the inhibition of microsomal prostaglandin E2
Synthase-1 by 2-aryl substituted quinazolin-4(3H)-one, pyrido[4,3-d]
pyrimidin-4(3H)-one and pyrido[2,3-d]pyrimidin-4(3H)-one derivatives View at Publisher | View at Google Scholar
-
Toward understanding the inhibition of vesicular stomatitis virus
replication in MDCK cells by 4-quinolinecarboxylic acid analogues:
A density functional study View at Publisher | View at Google Scholar
-
Toward understanding the inhibition of vesicular stomatitis virus
replication in MDCK cells by 4-quinolinecarboxylic acid analogues:
A density functional study View at Publisher | View at Google Scholar
-
A quantum chemical analysis of the
relationships between electronic structure,
PAK1 inhibition and MEK phosphorylation
in a series of
2-arylamino-4-aryl-pyrimidines View at Publisher | View at Google Scholar
-
45 Years of the KPG Method: A Tribute to Federico Peradejordi View at Publisher | View at Google Scholar
-
Novel Fluorinated Imidazolium Ionic Liquids: Eco-friendly, Facile and Efficient Construction, Characterization, in vitro Anticancer Activity, Toxicity and in silico Analysis View at Publisher | View at Google Scholar
-
A Theoretical Study of the Relationships between Electronic Structure and
Cytotoxicity of a group of N2
-alkylated Quaternary ?-Carbolines against nine
Tumoral Cell Lines
View at Publisher | View at Google Scholar
-
Synthesis and antimicrobial activity evaluation of some new 7-substituted quinolin-8-ol derivatives: POM analyses, docking, and identification of antibacterial pharmacophore sites View at Publisher | View at Google Scholar
-
A Short Note on the Relationships between Electronic Structure and SNitrosoglutathione Reductase Inhibition by 3-[1-(4-carbamoylphenyl)-5-
phenyl-1H-pyrrol-2-yl]propanoic acids.
View at Publisher | View at Google Scholar
-
Synthesis and antimicrobial activity evaluation of some new 7-substituted quinolin-8-ol derivatives: POM analyses, docking, and identification of antibacterial pharmacophore sites View at Publisher | View at Google Scholar
-
A note on the relationships between electronic structure and inhibition of
Chikungunya virus replication by a group of [1,2,3]triazolo[4,5-d]pyrimidin7(6H)-one derivatives View at Publisher | View at Google Scholar
-
Synthesis and Characterization of Substituted Imidazole Derivatives with Potential Biological Effect // Synthesis and Characterization of Substituted Imidazole Derivatives with Potential Biological Effect View at Publisher | View at Google Scholar
-
A DFT Study of the Inhibition of the Papain-like Protease (PLpro) from the SARS Coronavirus by a Group of 4-Piperidinecarboxamide Derivatives View at Publisher | View at Google Scholar
-
A Quantum Chemical Analysis of the Inactivation Rate Constant of the
BoNT/A LC Neurotoxin by some 1,4-Benzoquinone and 1,4-Naphthoquinone
derivatives.
View at Publisher | View at Google Scholar
-
A theoretical approach to the cytotoxicity of a series of ?-carbolinedithiocarbamate derivatives against prostatic cancer (DU-145),
breast cancer (MCF-7), human lung adenocarcinoma (A549) and
cervical cancer (HeLa) cell lines View at Publisher | View at Google Scholar
-
A theoretical analysis of the relationships between electronic structure and
HIV-1 integrase inhibition and antiviral activity of a series of
naphthyridinone derivatives
View at Publisher | View at Google Scholar
-
A quantum-chemical and docking study of the inhibitory activity of a family
of thienopyrimidine derivatives bearing a chromone moiety against mTOR
Kinase View at Publisher | View at Google Scholar
-
A quantum-chemical analysis of the antiproliferative activity of
N-3-benzimidazolephenylbisamide derivatives against MGC803,
HT29, MKN45 and SW620 cancer cell lines
View at Publisher | View at Google Scholar
-
Quantum-chemical and docking studies of 8-hydroxy-quinolines as inhibitors
of the botulinum neurotoxin a light chain (BoNT/A LC) View at Publisher | View at Google Scholar
-
Computational POM and 3D-QSAR evaluation of experimental in vitro HIV-1-Integrase inhibition of amide-containing diketoacids View at Publisher | View at Google Scholar
-
A DFT Analysis of the Inhibition of Carbonic
Anhydrase Isoforms I, II, IX and XII by a Series of
Benzenesulfonamides and
Tetrafluorobenzenesulfonamides View at Publisher | View at Google Scholar
-
The different modes of docking of a series of benzenesulfonamides and
tetrafluorobenzenesulfonamides to the carbonic anhydrase isoform II View at Publisher | View at Google Scholar
-
De novo design and in-silico studies of novel 1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid derivatives as HIV-1 reverse transcriptase inhibitors View at Publisher | View at Google Scholar
-
Electronic structure and rat fundus serotonin
receptor binding affinity of phenetylamines and
indolealkylamines. View at Publisher | View at Google Scholar
-
A DFT Analysis of the Relationships between Electronic Structure and
Human ?, ? and ? Opioid Receptor Binding Affinity in a series of
Diphenethylamines View at Publisher | View at Google Scholar
-
A DFT analysis of the relationships between electronic structure and
inhibition of aurora kinase A and epidermal growth factor receptor kinase by
a set of N4
-phenyl substituted-7H-pyrrolo[2,3-d]pyrimidin-4-amines View at Publisher | View at Google Scholar
-
Prediction of Drug-Resistance Using Genotypic and Docking Analysis Among Anti-Retroviral Therapy Naïve and First-Line Treatment Failures in Salem, Tamil Nadu, India View at Publisher | View at Google Scholar
-
A DFT and Docking study of the relationships between electronic structure
and 5-HT2B receptor binding affinity in N-benzylphenethylamines View at Publisher | View at Google Scholar
-
On the compatibility between formal QSAR results and docking results: the
relationship between electronic structure and H5N1
(A/goose/Guangdong/SH7/2013) neuraminidase inhibition by some Tamiflu
derivatives as an example
View at Publisher | View at Google Scholar
-
DESIGNING DISULFIDE CYCLIC PEPTIDE AS FUSION INHIBITOR THAT TARGETS DENV ENVELOPE PROTEIN View at Publisher | View at Google Scholar
-
A Preliminary Formal Quantitative Structure-Activity Relationship Study of some 1,7-Bis-
(amino alkyl)diazachrysene Derivatives as Inhibitors of Botulinum Neurotoxin Serotype A
Light Chain and Three P. falciparum Malaria Strains. View at Publisher | View at Google Scholar
-
D-CENT-QSAR PROGRAM. V. 1.0.
A Free Software to Generate the data for HighQuality QUANTITATIVE STRUCTUREACTIVITY RELATIONSHIPS View at Publisher | View at Google Scholar
-
ombining Molecular docking and POM approaches for Anti-inflammatory
activity of some novel quinazoline derivatives View at Publisher | View at Google Scholar
-
CORRELATION BETWEEN THE ELECTRONIC STRUCTURE OF QUINAZOLINE DERIVATIVES AND THE ACTIVITY OF THE NTR1 RECEPTOR View at Publisher | View at Google Scholar
-
A quantum-chemical analysis of the relationships between electronic structure
and cytotoxicity, GyrB inhibition, DNA supercoiling inhibition and antitubercular activity of a series of quinolineaminopiperidine hybrid analogues View at Publisher | View at Google Scholar
-
Virtual Screening of Phytochemical Compounds as Potential Inhibitors against HIV-1 Resistance to protease inhibitor View at Publisher | View at Google Scholar
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A quantum chemical analysis of the inhibition of protein kinase A (PKA) and
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A Predictive Docking study of the interaction of some Benzenesulfinamides
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The mechanism, the chemoselectivity and the regioselectivity of the 1-Benzyl-4-ethynyl-1H-[1,2,3]triazole and 1-Azidomethyl-4-tert-butyl-benzene in [3+2] cycloaddition reactions: a DFT study View at Publisher | View at Google Scholar
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A DFT COMPUTATIONAL STUDY ON THE MOLECULAR MECHANISM OF REACTION BETWEEN METHYL 3-HYDROXY-3-METHYL-2 METHYLENE BUTANOATE AND (E)-N-METHYL-1-PHENYLETHAN-1-IMINE OXIDE View at Publisher | View at Google Scholar
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A DFT STUDY OF THE MOLECULAR MECHANISM, STEREO, CHEMIO AND REGIOSELECTIVITY OF THE CYCLOADDITION REACTION BETWEEN PHENYLSULFONYLFURAN-2(5H)-ONE AND DIAZOMETHANE View at Publisher | View at Google Scholar
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Theoretical investigation of the mechanism, stereoselectivity and regioselectivity
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Research Journal of Pharmaceutical, Biological and Chemical
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Design, synthesis and molecular modeling of phenyl dihydropyridazinone derivatives as B-Raf inhibitors with anticancer activity View at Publisher | View at Google Scholar
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Synthesis, PASS Prediction and Docking Studies of Anti-inflammatory Activity of Novel Series of 2, 6-Bis
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Influence of Malus domestica and Caesalpinia bonducella Leaf Extracts on the Corrosion Behaviour of Mild Steel in H2SO4 Solution View at Publisher | View at Google Scholar
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Density Functional Theory (B3LYP/6-31G*) Study of Toxicity
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Modelling of some Schiff bases as anti-Salmonella typhi drugs:
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International Journal of Life Sciences and Review (IJLSR) View at Publisher | View at Google Scholar
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Novel 8-Hydroxyqionoline Derivatives as Effective
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Use of Seroquel as an Effective Corrosion Inhibitor for Low Carbon Steel in 1 M HCl View at Publisher | View at Google Scholar
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Determination of chemical potential for carvedilol, atenolol and Propranolol
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Rizatriptan Benzoate as Corrosion Inhibitor for Mild Steel in Acidic Corrosive Medium: Experimental and Theoretical Analysis View at Publisher | View at Google Scholar
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Hydrogen Bond Studies in Interact 6-Mercaptopurine with its Receptor Hypoxanthine-Guanine Phosphoribosyltransferase View at Publisher | View at Google Scholar
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Investigation of Anticancer Drug Activity 5-Fluorouracil and Some Analog Derivatives by QSAR: Theoretical Study View at Publisher | View at Google Scholar
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Green Inhibitor for Aluminium and Mild Steel in Acidic Media: A Case Study of Exudates of Eucalyptus Citriodora View at Publisher | View at Google Scholar
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Computational studies of the corrosion inhibition potentials of
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QSAR Model for Prediction of some Non-Nucleoside inhibitors of Dengue virus
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Electrochemical and Theoretical Studies of Novel
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Insilico design of highly potent anti-salmonella typhi
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In-silico approaches towards the profiling of some anti-dengue virus as potent inhibitors against dengue NS-5 receptor View at Publisher | View at Google Scholar
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Adsorption and Corrosion inhibition of Azadirachta indica
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Extracted of Fresh Olive Leaves for Corrosion
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Experimental and Quantum Chemical Studies on the Corrosion
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Behaviour of ortho-N-Glycoside as Green Corrosion Inhibitors for Tin in 0.5 M Citric Acid View at Publisher | View at Google Scholar
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Dopamine-Dextran Conjugate for the Inhibition of Corrosion of Steel in Acidic Medium View at Publisher | View at Google Scholar
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Corrosion Inhibition of Mild Steel and Copper in Acidic Media Using Some Lebanese Plant Extracts View at Publisher | View at Google Scholar
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Adsorption and Inhibitive Properties of Some Plant Extracts
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Simulation of Galvanic Corrosion for Aluminum, Copper, Iron and Zinc at different pH and temperatures View at Publisher | View at Google Scholar
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Molecular Docking studies on phytocompounds from the methanol leaf extract of Carica papaya against Envelope protein of dengue virus (type-2) View at Publisher | View at Google Scholar
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The Inhibitive Performance of some Lebanese plant Extracts for the Corrosion of some Metals in Acidic Solution View at Publisher | View at Google Scholar
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A Multi-Perspective Review on Dengue Research View at Publisher | View at Google Scholar
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Docking, synthesis and bioassay
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Evaluation of the Inhibitors Effect of Some Plant Extracts on the Corrosion of Mild Steel in Acidic Media View at Publisher | View at Google Scholar
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The effectiveness of papaya leaf extract fraction (Carica papaya L.) as dengue antiviral in vitro View at Publisher | View at Google Scholar
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Innovative Formulation for Control of Scale Deposition and Corrosion in Industrial Cooling Water Systems View at Publisher | View at Google Scholar
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Computational Modeling: Theoretical Predictive Tools for Designing of Potential Organic Corrosion Inhibitors View at Publisher | View at Google Scholar
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Experimental studies of indoloimidazole derivative as corrosion inhibitor on mild steel in acidic media View at Publisher | View at Google Scholar
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On novel harmonic indices of certain nanotubes
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Calculating Some Topological Indices of SiO2 Layer Structure View at Publisher | View at Google Scholar
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Corrosion protection of soft-cast steel in 1 M HCl with
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The Harmonic Polynomial and Harmonic Index of Certain Carbon Nanotubes View at Publisher | View at Google Scholar
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In vitro polyploidy induction: changes in morphological, anatomical and phytochemical characteristics of Thymus persicus View at Publisher | View at Google Scholar
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Integrating GUSAR and QSAR analyses for antimalarial activity of synthetic prodiginines against multi drug resistant strain View at Publisher | View at Google Scholar
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QSAR Models for Anti-Malarial Activity of 4-Aminoquinolines View at Publisher | View at Google Scholar
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Computational POM and 3D-QSAR evaluation of experimental in vitro HIV-1-Integrase inhibition of amide-containing diketoacids View at Publisher | View at Google Scholar
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Screening of commercial cyclic peptide conjugated to HIV-1 Tat peptide as inhibitor of N-terminal heptad repeat glycoprotein-2 ectodomain Ebola virus through in silico analysis View at Publisher | View at Google Scholar
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k-NN, quantum mechanical and field similarity based analysis of xanthone derivatives as ?-glucosidase inhibitors View at Publisher | View at Google Scholar
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Virtual screening of Indonesian flavonoid as neuraminidase inhibitor of influenza a subtype H5N1 View at Publisher | View at Google Scholar
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Oxidation and Acetylation of Ursolic and Oleanolic Acids Isolated from Fragraea fragrans fruits; Antiproliferation of P388 Leukemia Cells View at Publisher | View at Google Scholar
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Structural characterization of new pentacyclic triterpenoids View at Publisher | View at Google Scholar
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Novel Ursolic Acid Loaded Proniosomal Gel And Method Of Preparation Thereof View at Publisher | View at Google Scholar
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Drug Design and Analysis In Silico of Sapelenin G, an Acyclic Triterpenoid as Potential
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Screening of Commercial Cyclic Peptide Conjugated to HIV-1 Tat Peptide as Inhibitor of N-Terminal Heptad Repeat Glycoprotein-2 Ectodomain Ebola Virus Through In Silico Analysis View at Publisher | View at Google Scholar
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Integrating GUSAR and QSAR analyses for antimalarial activity of synthetic prodiginines against multi drug resistant strain View at Publisher | View at Google Scholar
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Ursolic Acid: 5 cyclic triterpenoid in apple peel With a wide range of therapeutic effects View at Publisher | View at Google Scholar
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Molecular interaction study of commercial cyclic peptides and MERS-COV papain-like protease as novel drug candidate for MERS-COV View at Publisher | View at Google Scholar
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Ursolic Acid: 5 cyclic triterpenoid in apple peel With a wide range of therapeutic effects View at Publisher | View at Google Scholar
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Some remarks on the interpretation of the local atomic reactivity indices within the Klopman Peradejordi Gomez (KPG) method. I. Theoretical analysis View at Publisher | View at Google Scholar
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A Density Functional Theory Analysis of the relationships between electronic
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Some remarks about the relationships between the common skeleton concept
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A Quantum-chemical study of the relationships between electronic structure
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Quantum Chemical Study of the Relationships between Electronic Structure and Corticotropin-Releasing Factor 1 Receptor Binding Inhibition by a Group of Benzazole Derivatives View at Publisher | View at Google Scholar
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A DFT study or the relationship between the electronic structure and the antiplasmodial activity of a series of 4-anilino-2-trichloromethylquinazolines derivatives View at Publisher | View at Google Scholar
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The relationships between electronic structure and human A1 adenosine
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A Theoretical Analysis of the Relationships between Electronic Structure and
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A DFT Investigation of the Relationships between Electronic Structure and
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A DFT study of the relationships between electronic structure and dopamine
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A Note on the Binding of N-2-Methoxybenzyl-phenethylamines (NBOMe Drugs) to the 5-
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Dissecting the Drug-receptor Interaction with the Klopman-Peradejordi-Gómez (KPG)
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A quantum-chemical analysis of the relationships between electronic structure
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A Quantum-Chemical Study of the Relationships between Electronic Structure and AntiProliferative Activities of Quinoxaline Derivatives on the K562 and MCF-7 Cell Lines View at Publisher | View at Google Scholar
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PHYSICS CARTOONS: SCHRÖDINGER'S CAT View at Publisher | View at Google Scholar
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The Rationale of Autologously Prepared Bone Marrow Aspirate Concentrate for use in Regenerative Medicine Applications View at Publisher | View at Google Scholar
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Isolation, Activation, and Mechanism of Action of Platelet-Rich Plasma and Its Applications for Joint Repair View at Publisher | View at Google Scholar
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Quantum Chemical Study of the Relationships between Electronic Structure and Antiviral Activities against Influenza A H1N1, Enterovirus 71 and Coxsackie B3 viruses of some Pyrazine-1,3-thiazine Hybrid Analogues View at Publisher | View at Google Scholar
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General Unrestricted Structure Activity Relationships based evaluation of quinoxaline derivatives as potential influenza NS1A protein inhibitors View at Publisher | View at Google Scholar
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Molecular docking and 3D QSAR studies of quinoxaline derivatives as
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Exploring interactions of 2-Amino-6-arylsulfonylbenzonitrile derivatives as non-nucleoside reverse transcriptase inhibitors of HIV-1 using docking studies. View at Publisher | View at Google Scholar
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Searching of flavonoid compounds as a new antiviral for Sudan Ebolavirus glycoprotein using in silico methods View at Publisher | View at Google Scholar
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Computational POM and 3D-QSAR evaluation of experimental in vitro HIV-1-Integrase inhibition of amide-containing diketoacids View at Publisher | View at Google Scholar
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A Quantum-chemical Study of the Relationships Between Electronic Structure and Anti-proliferative Activity of Quinoxaline Derivatives on the HeLa Cell Line View at Publisher | View at Google Scholar
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COMPUTING SANSKRUTI INDEX OF TURC4C8(S) NANOTUBE View at Publisher | View at Google Scholar
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Chemical and Electrochemical Studies of Novel
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Inhibitive behaviour of Acacia senegalensis on corrosion resistance of mild steel-acidic environment View at Publisher | View at Google Scholar
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The inhibition effect of [3-(4-hydroxy-3-methoxy-phenyl)-1-(2-hydroxyphenyl-propenone)] on the corrosion of the aluminium in alkaline medium View at Publisher | View at Google Scholar
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Tilia leafs kao ekoloki inhibitor korozije za meki ?elik u vodenim rastvorima View at Publisher | View at Google Scholar
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Inhibition of Steel Corrosion in Industrial Acid Cleaning Systems Using Organic Compounds View at Publisher | View at Google Scholar
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Caffeine-A Potential Corrosion Inhibiter for Metals in Acidic Media View at Publisher | View at Google Scholar
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Assessment of Locust Bean Pod Extract (Parkia Biglobosa) as
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