Recent Advances in Fragment-Based QSAR and Multi-Dimensional QSAR Methods

Author(s): Kyaw Zeyar Myint | Xiang-Qun Xie

3D-QSAR Studies on a Series of Dihydroorotate Dehydrogenase Inhibitors: Analogues of the Active Metabolite of Leflunomide

Author(s): Shun-Lai Li | Mao-Yu He | Hong-Guang Du

Antiproliferative activity of NCI-DTP glutarimide derivatives. An alignment independent 3D QSAR study

Author(s): JELENA B. POPOVIĆ-DJORDJEVIĆ | LJILJANA I. DOŠEN-MIĆOVIĆ | IVAN O. JURANIĆ | BRANKO J. DRAKULIĆ

Prediction of PKCθ Inhibitory Activity Using the Random Forest Algorithm

Author(s): Ming Hao | Yan Li | Yonghua Wang | Shuwei Zhang

Application of Molecular Topology for the Prediction of Reaction Yields and Anti-Inflammatory Activity of Heterocyclic Amidine Derivatives

Author(s): Jordi Pla-Franco | María Gálvez-Llompart | Jorge Gálvez | Ramón García-Domenech

Inhibition of β-galactosidase and α-glucosidase synthesis in petroleum refinery effluent bacteria by phenolic compounds

Author(s): Christian O. Nweke | Gideon C. Okpokwasili

Antiproliferative activity of NCI-DTP glutarimide derivatives. An alignment independent 3D QSAR study - Supplementary Material

Author(s): JELENA B. POPOVIĆ-DJORDJEVIĆ | LJILJANA I. DOŠEN-MIĆOVIĆ | IVAN O. JURANIĆ | BRANKO J. DRAKULIĆ

Correlation between the lipophilicity and antifungal activity of some benzoxazole derivatives

Author(s): Podunavac-Kuzmanović Sanja O. | Velimirović Sonja D.

QSAR study of benzimidazole derivatives inhibition on escherichia coli methionine Aminopeptidase

Author(s): Zahra Garkani-Nejad | Fereshteh Saneie

Design and Synthesis of Anti-MRSA Benzimidazolylbenzene-sulfonamides. QSAR Studies for Prediction of Antibacterial Activity

Author(s): Marco Martín González-Chávez | Francisco Méndez | Roberto Martínez | Cuaúhtemoc Pérez-González | Fidel Martínez-Gutiérrez

The Role of Three Dimensional Geometric Descriptors of Selected PAHS on Inducing Mortality in Juvenile Angel Fish (Pterophyllum scalare)

Author(s): A. Karami-Varnamkhasti | P. Eghtesadi-Araghi | H. Negarestan | O. Ranaei Siadat | A. Maghsoudlou

3D-QSAR and Molecular Docking Studies on Fused Pyrazoles as p38α Mitogen-Activated Protein Kinase Inhibitors

Author(s): Ping Lan | Zhi-Jian Huang | Jun-Rong Sun | Wei-Min Chen

In Silico Prediction of Estrogen Receptor Subtype Binding Affinity and Selectivity Using Statistical Methods and Molecular Docking with 2-Arylnaphthalenes and 2-Arylquinolines

Author(s): Zhizhong Wang | Yan Li | Chunzhi Ai | Yonghua Wang

Molecular Modeling Studies of 4,5-Dihydro-1H-pyrazolo[4,3-h] quinazoline Derivatives as Potent CDK2/Cyclin A Inhibitors Using 3D-QSAR and Docking

Author(s): Yong Ai | Shao-Teng Wang | Ping-Hua Sun | Fa-Jun Song

QSAR study for the prediction of IC50 and Log P for 5-N-Acetyl-Beta-DNeuraminic Acid structurally similar compounds using stepwise (multivariate) linear regression

Author(s): Ponmary Pushpa Latha D. | Jeya Sundara Sharmila D.

Quantitative structure-activity relationships to predict antibacterial effect of some benzimidazole derivatives

Author(s): Podunavac-Kuzmanović Sanja O. | Barna Dijana J. | Cvetković Dragoljub D.

Quantitative structure-activity relationship of some 1-benzylbenzimidazole derivatives as antifungal agents

Author(s): Podunavac-Kuzmanović Sanja O. | Barna Dijana J. | Cvetković Dragoljub D.

Effect of dihydropyrimidine derivatives on kinetic parameters of E.carotovora L-asparaginase

Author(s): Warangkar S.C. | Khobragade C.N. | Dawane B.S. | Bhosale R.B.

1Synthesis and QSAR analysis of 5-substituted (arylmethylene) pyridin-2-amine derivatives as potential antibacterials

Author(s): Bhatia M.S. | Mulani A.K. | Choudhari P.B. | Ingale K.B. | Bhatia N.M.

Dual Allosteric Effect in Glycine/NMDA Receptor Antagonism: A Comparative QSAR Approach

Author(s): Manish Sharma | Vipin B. Gupta

Artificial neural network prediction of the psychometric activities of phenylalkylamines using DFT-calculated molecular descriptors

Author(s): MINA HAGHDADI | MOHAMMAD H. FATEMI

Human Leukocyte Elastase Inhibitors: Analog Based Studies to Design Novel Lead Compounds for the Treatment of COPD

Author(s): Jayashankar.L | Prof B. Syama Sundar | Arun Kumar.R

Comparative molecular similarity indices analysis of 1-(Naphthylalky1)-1H-imidazole analogs with antiepileptic activity

Author(s): Ganguly S | Mishra R

Classifying and scoring of molecules with the NGN: new datasets, significance tests, and generalization

Author(s): Ma Eddie | Cameron Christopher | Kremer Stefan

IKKβ inhibitor identification: a multi-filter driven novel scaffold

3D-QSAR and Molecular Docking Studies on Derivatives of MK-0457, GSK1070916 and SNS-314 as Inhibitors against Aurora B Kinase

Author(s): Baidong Zhang | Yan Li | Huixiao Zhang | Chunzhi Ai

An integrated approach to epitope analysis II: A system for proteomic-scale prediction of immunological characteristics

Author(s): Bremel Robert | Homan E

QSAR rationales for the 1,2-diarylcyclopentenes as prostaglandin EP1 receptor antagonists: Potentially useful in the treatment of inflammatory pain

Author(s): Brij Kishore Sharma | Pradeep Pilania | Prithvi Singh

Development of QSAR model for immunomodulatory activity of natural coumarinolignoids

Author(s): Dharmendra K Yadav | Abha Meena | Ankit Srivastava | et al

Structural Determination of Three Different Series of Compounds as Hsp90 Inhibitors Using 3D-QSAR Modeling, Molecular Docking and Molecular Dynamics Methods

Author(s): Jianling Liu | Fangfang Wang | Zhi Ma | Xia Wang | Yonghua Wang

IN SILICO MODELLING AND DRUG DESIGN – A REVIEW

Author(s): Gupta Praveen kumar | Agrawal Pushpa | Shivakumar Neeta | Hiremath Suhasini.B

Synthesis, screening and QSAR studies of 3-benzoyl-2-oxo/thioxo-1,2,3,4-tetrahydro-pyrimidine analogues as antibacterial agents

Author(s): Ramesh L. Sawant | Manish S. Bhatia

Studies of New Fused Benzazepine as Selective Dopamine D3 Receptor Antagonists Using 3D-QSAR, Molecular Docking and Molecular Dynamics

Author(s): Jing Liu | Yan Li | Shuwei Zhang | Zhengtao Xiao | Chunzhi Ai

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

Author(s): Tahereh Asadollahi | Shayessteh Dadfarnia | Ali Mohammad Haji Shabani | Jahan B. Ghasemi | Maryam Sarkhosh

QSAR–CoMSIA applied to antipsychotic drugs with their dopamine D2 and serotonine 5HT2A membrane receptors

Author(s): SPERANTA AVRAM | DANIEL DUDA-SEIMAN | FLORIN BORCAN | PETER WOLSCHANN

Combined 3D-QSAR Modeling and Molecular Docking Studies on Pyrrole-Indolin-2-ones as Aurora A Kinase Inhibitors

Author(s): Yong Ai | Shao-Teng Wang | Ping-Hua Sun | Fa-Jun Song

Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies

Author(s): John Shalini | Thangapandian Sundarapandian | Sakkiah Sugunadevi | Lee Keun

Molecular Modeling Approach to Cardiovascular Disease Targetting

Author(s): Chandra Sekhar Akula, | Prof. Allam Appa Rao, | Sameera.P, | SURESH KUMAR.SANGEETA | Sateesh Patchikolla

Combined 3D-QSAR, Molecular Docking and Molecular Dynamics Study on Derivatives of Peptide Epoxyketone and Tyropeptin-Boronic Acid as Inhibitors Against the β5 Subunit of Human 20S Proteasome

QSAR MODELING OF ANTIBACTERIAL ACTIVITY OF SOME BENZIMIDAZOLE DERIVATIVES

Author(s): SANJA O. PODUNAVAC-KUZMANOVIĆ | DRAGOLJUB D. CVETKOVIĆ

Regression Analysis on the Chemical Descriptors of a Selected Class of DPP4 Inhibitors

Author(s): Jose Isagani B. Janairo | Frumencio F. Co | Gerardo C. Janairo | Derrick Ethelbhert C. Yu

3D QSAR STUDIES ON A SERIES OF QUINAZOLINE DERRIVATIVES AS TYROSINE KINASE (EGFR) INHIBITOR: THE k-NEAREST NEIGHBOR MOLECULAR FIELD ANALYSIS APPROACH.

Author(s): Malleshappa N. Noolvi | Harun M. Patel

Studies of antimicrobial activities of some 4-thiazolidinone fused pyrimidines, [1,5]-benzodiazepines and their oxygen substituted hydroxylamine derivatives

Author(s): Singh Bhawani | Maheshwari A | Dak G | Sharma K | Talesara G

Thiazolidinone motif in anticancer drug discovery. Experience of DH LNMU medicinal chemistry scientific group

QSAR Study of Novel Benzothiophene Derivatives as Potent Anticancer Agent

In Vitro Antioxidant Activity of Selected 4-Hydroxy-chromene-2-one Derivatives—SAR, QSAR and DFT Studies

Investigations on Inhibitors of Hedgehog Signal Pathway: A Quantitative Structure-Activity Relationship Study

Author(s): Ruixin Zhu | Qi Liu | Jian Tang | Huiliang Li | Zhiwei Cao

Introducing Catastrophe-QSAR. Application on Modeling Molecular Mechanisms of Pyridinone Derivative-Type HIV Non-Nucleoside Reverse Transcriptase Inhibitors

Author(s): Mihai V. Putz | Marius Lazea | Ana-Maria Putz | Corina Duda-Seiman

ROLE OF SOLVENT ACCESSIBLE SURFACE AREA (ASA+) AND BALABEN 3D INDEX (J3D) IN BINDING AFFINITY OF TIBO DERIVATIVES

Author(s): Lokendra Kumar Ojha

High-Dimensional Descriptor Selection and Computational QSAR Modeling for Antitumor Activity of ARC-111 Analogues Based on Support Vector Regression (SVR)

Author(s): Wei Zhou | Zhijun Dai | Yuan Chen | Haiyan Wang | Zheming Yuan

A QSAR Study of Some Cyclobutenediones as CCR1 Antagonists by Artificial Neural Networks Based on Principal Component Analysis

Author(s): M Shahlaei | A Fassihi | L Saghaie | E Arkan | A Pourhossein

A QSAR STUDY ON PYRAZOLE AND TRIAZOLE DERIVATIVES AS SELECTIVE CANINE COX-2 INHIBITORS

Author(s): Sharma Brij Kishore | Shekhawat Manju | Singh Prithvi

Prediction of the inhibitory activity of benzimidazole derivatives against Bacillus spp.

Author(s): Podunavac-Kuzmanovića Sanja O. | Cvetković Dragoljub D. | Gadžurić Slobodan B.

Synthesis and in vitro dual calcium channel antagonist-agonist activity of some 1, 4-Dihydo-2,6-dimethyl-3-nitro and cyano-4-(1-methyl-5-nitro-1H-imidazol-2-yl)-5-pyridinecarboxylates

A LINEAR QSAR AND DOCKING APPROACH TO MODEL INHIBITORY ACTIVITY OF 2-ARYLBENZOXAZOLE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) INHIBITORS

Author(s): MUKESH YADAV, ANURAJ NAYARISSERI, SHOBHA JOSHI, ANKITA GUPTA, PURVA HOLKAR, ASHISH RAJPUT, RISHABH JAIN

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSAR) OF A SERIES OF KETONE DERIVATIVES AS ANTI-CANDIDA ALBICANS

Author(s): LUIZ FREDERICO MOTTA And WANDA PEREIRA ALMEIDA

RECENT DEVELOPMENTS IN MODELING OF MONITORING IN THE ANAEROBIC BIOREACTOR SYSTEM

Author(s): KATHERIN INDRIAWATI | RAHMAT ANDY SAPUTRA | AYMAN ABO JABAL | TITIK BUDIATI | TOTOK R. BIYANTO

3D-QSAR Studies of Dihydropyrazole and Dihydropyrrole Derivatives as Inhibitors of Human Mitotic Kinesin Eg5 Based on Molecular Docking

Pyrrolo[3,2-d]pyrimidine Derivatives as Type II Kinase Insert Domain Receptor (KDR) Inhibitors: CoMFA and CoMSIA Studies

Author(s): Xiao-Yun Wu | Wen-Hua Chen | Shu-Guang Wu | Yuan-Xin Tian | Jia-Jie Zhang

Experimental Methodologies and Evaluations of Computer-Aided Drug Design Methodologies Applied to a Series of 2-Aminothiophene Derivatives with Antifungal Activities

Exploring QSARs for Inhibitory Activity of Cyclic Urea and Nonpeptide-Cyclic Cyanoguanidine Derivatives HIV-1 Protease Inhibitors by Artificial Neural Network

Author(s): Mohammad Jawabreh | Omar Deeb

Exploring MIA-QSARs for farnesyltransferase inhibitory effect of antimalarial compounds refined by docking simulations

Author(s): Elaine F. F. da Cunha | Teodorico C. Ramalho | Matheus P. Freitas | Omar Deeb | Sherin Alfalah

Exploring MIA-QSARs for farnesyltransferase inhibitory effect of antimalarial compounds refined by docking simulations

Author(s): Omar Deeb | Sherin Alfalah | Matheus P. Freitas | Elaine F. F. da Cunha | Teodorico C. Ramalho

PREDICTION OF THE BIODEGRADATION OF PETROLEUM THIOPHENE IN THE ENVIRONMENTAL

Author(s): Yana K. Koleva | Petko Petkov | Yordanka Tasheva

QSAR Study and Molecular Design of Open-Chain Enaminones as Anticonvulsant Agents

Author(s): Juan C. Garro Martinez | Pablo R. Duchowicz | Mario R. Estrada | Graciela N. Zamarbide | Eduardo A. Castro

3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors

Effect of Weight Updates Functions in QSAR/QSPR Modeling using Artificial Neural Network

Author(s): Mohammad Asadollahi- Baboli

3D-QSAR STUDIES ON 2- ARYLCARBONYL -3-TRIFLUOROMETHYLQUINOXALINE 1, 4-DI-N- OXIDE DERIVATIVES AND THEIR REDUCED ANALOGUES USING K-NN MFA APPROACH

Author(s): Joohee Pradhan

Structural Requirements of N-Substituted Spiropiperidine Analogues as Agonists of Nociceptin/Orphanin FQ Receptor

Toxicity of Some Cinnamic Acid Derivatives to Common Bean (Phaseolus vulgaris)

Author(s): Alexandra JITĂREANU | Gabriela TĂTĂRÎNGĂ | Ana-Maria ZBANCIOC | Ursula STĂNESCU

Combined Pharmacophore Modeling, Docking, and 3D-QSAR Studies of PLK1 Inhibitors

Genetic Function Approximation and Bayesian Models for the Discovery of Future HDAC8 Inhibitors

Author(s): Sundarapandian Thangapandian | Shalini John | Keun Woo Lee

Validation of Quantitative Structure-Activity Relationship (QSAR) Model for Photosensitizer Activity Prediction

Predicting Antitumor Activity of Peptides by Consensus of Regression Models Trained on a Small Data Sample

Author(s): Andreja Radman | Matija Gredičak | Ivica Kopriva | Ivanka Jerić

Mebudipine and Dibudipine: A Review

Author(s): Massoud Mahmoudian

QUANTITATIVE STRUCTURE–PROPERTY RELATIONSHIP (QSPR) STUDY OF KOVATS RETENTION INDICES OF SOME OF ADAMANTANE DERIVATIVES BYTHE GENETIC ALGORITHM AND MULTIPLE LINEAR REGRESSION (GA-MLR) METHOD

Author(s): Z. Bayat | M. Fakoor Yazdan Abad

Modeling of the Interaction of Flavanoids with GABA (A) Receptor Using PRECLAV (Property-Evaluation by Class Variables)

Author(s): Vijay K. Agrawal | Basheerulla Shaik | Padmakar V. Khadikar | Shalini Singh

Computational modeling studies on anti-HIV-1 non-nucleoside reverse transcriptase inhibition by dihydroalkoxybenzyloxopyrimidines analogues: an electrotopological atomistic approach

A study of new antimalarial artemisinins through molecular modeling and multivariate analysis

The acceptance of in silico models for REACH: Requirements, barriers, and perspectives

In Silico Identification of Structure Requirement for Novel Thiazole and Oxazole Derivatives as Potent Fructose 1,6-Bisphosphatase Inhibitors

VPython Application To The Computer-aided Drug Design Problem

MOLECULAR MODELLING OF HUMAN ALDEHYDE OXIDASE AND IDENTIFICATION OF THE KEY INTERACTIONS IN THE ENZYME-SUBSTRATE COMPLEX

Author(s): Siavoush Dastmalchi | Maryam Hamzeh-Mivehrod

Synthesis, antituberculosis activity and QSAR study of some novel 2-(nitroaryl)-5-(nitrobenzylsulfinyl and sulfonyl)-1,3,4-thiadiazole derivatives

3D-QSAR Pharmacophore Modeling of Staphylococcus aureus Phenylalanyl t-RNA Synthetase (Phe-RS) Inhibitors

Author(s): Ravi Shekar Ananthulaa,b, S.K. Mahmood a,*

Exploring the influence of steric, electronic and lipophilic descriptors of 1,3-diarly propenones on their anti-inflammatory activity

Author(s): N.M Bhatia | K.R Mahadik | M.S Bhatia

Structural Determinants of CX-4945 Derivatives as Protein Kinase CK2 Inhibitors: A Computational Study

Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) Studies on α1A-Adrenergic Receptor Antagonists Based on Pharmacophore Molecular Alignment

Author(s): Xin Zhao | Minsheng Chen | Biyun Huang | Hong Ji | Mu Yuan

Pharmacophore modeling and 3D QSAR studies on N- (2-benzoylphenyl)-L-tyrosines as PPARg Agonists

Author(s): Anuradha Sharma and Vipin Kumar*

2D QSAR studies on 1, 3-disubstituted Uracil derivatives as potential anti-HIV agents

Author(s): Trupti S. Chitre*, Kalyani D. Asgaonkar, Shital M. Patil, Hemant P. Mhaske, Rohan Bamane, M. K. Kathiravan

Two dimensional QSAR study of novel 2-(4-methyl sulfonylphenyl) pyrimidine derivatives as highly potent and specific COX-2 inhibitors

Author(s): A.K. Pathak*, Satish K. Sarankar, Parul Mehta

Molecular modeling and identification of substrate binding site of orphan human cytochrome P450 4F22

Author(s): Suresh Kumar*

2D-QSAR study of 4-(4-alkoxylphenyl)-3-ethyl-4H-1,2,4-triazoles as open-chain analogues of 7-alkoxyl-4,5-dihydro[1,2,4]triazolo[4,3-a] quinolines

Author(s): Harish Pandey1, Parul Mehta1, A.K.Pathak1, Himesh Soni2

Flavonoids as Vasorelaxant Agents: Synthesis, Biological Evaluation and Quantitative Structure Activities Relationship (QSAR) Studies

Classification of Anti-HIV Compounds using QSAR Studies

Author(s): Vignesh | Arnold Emerson I

3D-QSAR Studies on Thiazolidin-4-one S1P1 Receptor Agonists by CoMFA and CoMSIA

Probing Structural Features and Binding Mode of 3-Arylpyrimidin-2,4-diones within Housefly γ-Aminobutyric Acid (GABA) Receptor

Investigation on Quantitative Structure Activity Relationships and Pharmacophore Modeling of a Series of mGluR2 Antagonists

Studies on Log Po/w of Quinoxaline di-N-Oxides: A Comparison of RP-HPLC Experimental and Predictive Approaches

Transporter-Mediated Drug Interaction Strategy for 5-Aminolevulinic Acid (ALA)-Based Photodynamic Diagnosis of Malignant Brain Tumor: Molecular Design of ABCG2 Inhibitors

2D-QSAR model development and analysis on variant groups of anti -tuberculosis drugs

Author(s): Neeraja Dwivedi* | Bhartendu Nath Mishra | Vishwa Mohan Katoch

Modeling the QSAR of ACE-Inhibitory Peptides with ANN and Its Applied Illustration

A quantitative structure–activity relationship study of tetrabutylphosphonium bromide analogs as muscarinic acetylcholine receptors agonists

Author(s): MEHDI NEKOEI | MAHMOUD SALIMI | MOHSEN DOLATABADI | MAJID MOHAMMADHOSSEINI

Reviewing Ligand-Based Rational Drug Design: The Search for an ATP Synthase Inhibitor

Author(s): Chia-Hsien Lee | Hsuan-Cheng Huang | Hsueh-Fen Juan

QSAR ANALYSIS ON 4-QUINOLONE DERIVATIVES FOR DEVELOPMENT OF NOVEL GABAA RECEPTOR LIGANDS : A RESEARCH

Author(s): Aditi Kaushik1, Harmeet kaur*1, Manish Sharma2

Alert-QSAR. Implications for Electrophilic Theory of Chemical Carcinogenesis

Author(s): Mihai V. Putz | Cosmin Ionaşcu | Ana-Maria Putz | Vasile Ostafe

Combined 3D-QSAR and Docking Modelling Study on Indolocarbazole Series Compounds as Tie-2 Inhibitors

Investigation of the Structure Requirement for 5-HT6 Binding Affinity of Arylsulfonyl Derivatives: A Computational Study

Author(s): Ming Hao | Yan Li | Hanqing Li | Shuwei Zhang

3D-QSAR Study of Combretastatin A-4 Analogs Based on Molecular Docking

Residual-QSAR. Implications for genotoxic carcinogenesis

Author(s): Putz Mihai

A web server for predicting inhibitors against bacterial target GlmU protein

Author(s): Singla Deepak | Anurag Meenakshi | Dash Debasis | Raghava Gajendra

The open-access dataset for insilico cardiotoxicity prediction system

A 3D-QSAR model based screen for dihydropyridine-like compound library to identify inhibitors of amyloid beta (Aβ) production

Author(s): Venkatarajan S Mathura | Nikunj Patel | Corbin Bachmeier | Michael Mullan | Daniel Paris

A novel strategy of epitope design in Neisseria gonorrhoeae

Author(s): Debmalya Barh | Amarendra Narayan Misra | Anil Kumar | Vasco Azevedo

A QSAR study on some series of anti-hepatitis B virus (HBV) agents

Author(s): Preet K. Arora | Satya P. Gupta | Vaishali M. Patil

Lead expansion and virtual screening of Indinavir derivate HIV-1 protease inhibitors using pharmacophoric - shape similarity scoring function

Author(s): Sergey Shityakov | Thomas Dandekar

Predicting highly-connected hubs in protein interaction networks by QSAR and biological data descriptors

Author(s): Michael Hsing | Kendall Byler | Artem Cherkasov

Theoretically Predicted Descriptors Based Quantitative Structure Activity Relationship Study of the Activity of Acridines Against B-16 Melanoma

Author(s): Bahjat A. Saeed | Rita S. Elias | Sadiq M.-H. Ismael | Kawkab A. Hussain

Synthesis and Study of Anti Parkinsonism activity of 8-azabicyclo [3.2.1] octane Analogs

Author(s): Kalyan K. Sethi | Saurav M. Verma | Jayaprakash N. Pichikala | Podilama Suresh

Estimation of the volume of distribution of some pharmacologically important compounds from their structural descriptor

Author(s): MOHAMMAD H. FATEMI | ZAHRA GHORBANNEZHAD

Assessment of Random Assignment in Training and Test Sets using Generalized Cluster Analysis Technique

Author(s): Sorana D. BOLBOACĂ

Quantitative Structure Activity Relationship Analysis of Some Diarylsulphonylurea Derivatives as Tubulin Binding Agents

Author(s): Garvita Chaudhary | C. Karthikeyan | N.S. Hari Narayana Moorthy | Piyush Trivedi

QSAR Modeling of Some 2-methoxy Acridones: Cytotoxic Agents in Multi Drug Resistant Cells

Author(s): N.S.H.N. Moorthy | P. Trivedi

2D and 3D QSAR: Modeling of TIBO Derivatives as Reverse Transcriptase 1 Inhibitors

Rationalization of Physicochemical Property of Some Substituted Benzimidazole Bearing Acidic Heterocyclic Towards Angiotensin II Antagonist: A QSAR Approach

Author(s): Anurekha Jain | S.C. Chaturvedi

2D, 3D Modeling of Inhibition Activity of Reverse Transcriptase-1 by HEPT Derivatives

Quantitative Structure-activity Relationship Studies on Benzodiazepine Hydroxamic Acid Inhibitors of Matrix Metalloproteinases and Tumor Necrosis Factor-a Converting Enzyme

Author(s): S.P. Gupta | S. Kumaran

QSAR Study on Triazine Derivatives as DHFR Inhibitors Using Electrotopological State

Author(s): Thakur Abhilash | Thakur Mamta | Thakur Suprajnya

QSAR Studies on Some GSK-3a Inhibitory 6-aryl-pyrazolo (3,4-b) pyridines

Author(s): Ashutosh Jamloki | C. Karthikeyan | S.K. Sharma | N.S. Hari Narayana Moorthy | P. Trivedi

Quantitative Structure Activity Relationships of Some Selective Inhibitors of Glucagon Receptor: A Hansch Approach

Author(s): C. Karthikeyan | P. Manoj Kumar | N.S. Hari Narayana Moorthy | S.K. Shrivastava | Piyush Trivedi

3D QSAR STUDIES ON A SERIES OF POTENT AND HIGH SELECTIVE INVERSE AGONISTS OF HUMAN CANNABINOID RECEPTOR 1

Author(s): R Sharma | S.G. Reddy | S.K. Mehmood

A COMPARATIVE 2D QSAR ANALYSIS OF LEVETIRACETAM& ITS ANALOGS:-THE INHIBITOR OF GLIOBLASTOMA, BY DIFFERENT STATISTICAL TECHNIQUES: MLR, PLS, SVM, ANN

2D QSAR, PHARMACOPHORE AND DOCKING STUDIES OF MYCOBACTERIUM TUBERCULOSIS ENOYL ACYL CARRIER PROTEIN REDUCTASE INHIBITORS

Author(s): HARIPRIYA MUNIPALLI | Uday chandra kumar | Mahmood Shaik

QSAR STUDY ON ISONICOTINOYLHYDRAZONES AS ANTIMYCOBACTERIAL AGENTS

Author(s): Ashok Sarjerao Narute

2 D - QSAR studies on CYP26A1 inhibitory activity of 1-[benzofuran-2-yl-(4-alkyl/aryl-phenyl)-methyl]-1 H-triazoles

Author(s): Madhu Yadav

Antitumor and Quantitative Structure Activity Relationship Study for Dihydropyridones Derived from Curcumin

Author(s): Bahjat A. Saeed | Kawkab Y. Saour | Rita S. Elias | Najim A. Al-Masoudi | Paola La Cola

Density Functional Theory Based Quantitative Structure Activity Relationship Study of 2,5-Bis(1-Aziridinyl)-p-Benzoquinones with Lymphoid Leukemia

Author(s): Bahjat A. Saeed | Rita S. Elias

Antiviral and Quantitative Structure Activity Relationship Study for Dihydropyridones Derived from Curcumin

Author(s): Bahjat A. Saeed | Kawkab Y. Saour | Rita S. Elias | Najim A. Al-Masoudi

An Enhancement of Bayesian Inference Network for Ligand-Based Virtual Screening using Features Selection

Author(s): Ali Ahmed | Ammar Abdo | Naomie Salim

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