Recent Publications on Quantitative Structure-Activity Relationship: |  |
A structural modelling study on marine sediments toxicity.
Quantitative structure-activity relationship models were obtained by...
Direct Link | 30th August, 2008
| Technical University of Cluj-Napoca, 103-105 Muncii Bvd, 400641
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Docking, 3D-QSAR studies and in silico ADME prediction on c-Src tyrosine kinase inhibitors.
Docking simulations and three-dimensional quantitative structure-activity...
Direct Link | 30th August, 2008
| Dipartimento Farmaco Chimico Tecnologico, Universita degli Studi di Siena,
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Quantitative structure-activity relationship (QSAR) studies on a series of 1,3,4-thiadiazole-2-thione derivatives as tumor-associated carbonic anhydrase IX inhibitors.
A linear quantitative structure-activity relationship (QSAR) study that...
Direct Link | 23rd August, 2008
| Department of Medicinal Chemistry, Faculty of Pharmacy, Assiut University,
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Predicting Kinase Selectivity Profiles Using Free-Wilson QSAR Analysis.
Kinases are involved in a variety of diseases such as cancer, diabetes,...
Direct Link | 23rd August, 2008
| Laboratorio di Chemiometria, Universita di Perugia, Via Elce di Sotto, 10,
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Combined 3D-QSAR Modeling and Molecular Docking Study on Indolinone Derivatives as Inhibitors of 3-Phosphoinositide-Dependent Protein Kinase-1.
3-Phosphoinositide-dependent protein kinase-1 (PDK1) is a promising target...
Direct Link | 23rd August, 2008
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Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors.
Three-dimensional quantitative structure-activity relationship (3D-QSAR)...
Direct Link | 22nd August, 2008
| Department of Chemistry, Lanzhou University, Lanzhou, 730000, China.
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Target-Specific Anti-Fungal Discovery by Targeting Geotrichum candidum Histidinol Dehydrogenase: A Hybrid Approach.
This study describes a hybrid approach of screening substrate analogue...
Direct Link | 22nd August, 2008
| Department of Biotechnology, National Institute of Pharmaceutical
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Exploring QSARs for Antiviral Activity of 4-Alkylamino-6-(2-hydroxyethyl)-2-methylthiopyrimidines by Support Vector Machine.
The support vector machine, which is a novel algorithm from the machine...
Direct Link | 22nd August, 2008
| Institute of Petroleum Engineering, Faculty of Engineering, University of
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| Prediction of toxicity of phenols and anilines to algae by quantitative structure-activity relationship.
| 22nd August, 2008
| State Key Laboratory for Hydrology-water Resources and Hydraulic
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| [Quantum pharmacology: state of scientific investigations]
| 21st August, 2008
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Binding Interaction Analysis of the Active Site and Its Inhibitors for Neuraminidase (N1 Subtype) of Human Influenza Virus by the Integration of Molecular Docking, FMO Calculation and 3D-QSAR CoMFA Modeling.
Recently, the worldwide spread of A/H5N1 avian influenza with high...
Direct Link | 19th August, 2008
| Key Laboratory of Pesticide & Chemical Biology (CCNU), Ministry of
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Computational study of histamine H3-receptor antagonist with support vector machines and three dimension quantitative structure activity relationship methods.
Support vector machine (SVM) was used to derive QSAR models for 144...
Direct Link | 19th August, 2008
| College of Life Sciences and Biotechnology, Shanghai Jiaotong University,
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Quantitative structure-activity relationship studies on nitrofuranyl anti-tubercular agents.
A series of nitrofuranylamide and related aromatic compounds displaying...
Direct Link | 15th August, 2008
| Department of Pharmaceutical Sciences, University of Tennessee Health
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Synthesis, antibacterial and antifungal activities of some N-nitroso-2,6-diarylpiperidin-4-one semicarbazones and QSAR analysis.
A series of N-nitroso-2,6-diarylpiperidin-4-one semicarbazones and...
Direct Link | 14th August, 2008
| Department of Chemistry, Annamalai University, Annamalainagar, Chidambram,
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Molecular Field Analysis and 3D-Quantitative Structure-Activity Relationship Study (MFA 3D-QSAR) Unveil Novel Features of Bile Acid Recognition at TGR5.
Bile acids regulate nongenomic actions through the activation of TGR5, a...
Direct Link | 14th August, 2008
| Dipartimento di Chimica e Tecnologia del Farmaco, Universita di Perugia,
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