Quantitative structure-activity relationship - Wikipedia
Some examples are quantitative structure-reactivity relationships (QSRRs), quantitative structure-chromatography relationships ... QSCRs) and, quantitative structure-toxicity relationships (QSTRs), quantitative structure-electrochemistry relationships (QSERs ... one can find a mathematical relationship, or quantitative structure-activity relationship, between the two. The mathematical ... While many quantitative structure activity relationship analyses involve the interactions of a family of molecules with an ...
IUPAC - three-dimensional quantitative structure-activity relationships (DT06959)
Three-dimensional quantitative structure-activity relationships (3D-QSAR) involve the analysis of the quantitative relationship ... Citation: three-dimensional quantitative structure-activity relationships in IUPAC Compendium of Chemical Terminology, 3rd ed ... between the biological activity of a set of compounds and their three-dimensional properties using statistical correlation ...
EuroQSAR 2016 Verona Italy, 21st European Symposium on Quantitative Structure-Activity Relationship
Research interests include computer-aided drug design, structure-activity modeling, drug reprofiling, new therapies and ... As a result, new thiazole derivatives with the potential anti-inflammatory activity were designed and their activity has been ... He started as PostDoc in Structure-Based Drug Design (SBDD) modeling HIV virus mutations to Xray structures for translating ... The scientific activity of Prof. Cruciani is documented by more than 150 papers. In 2001 he got the Corvin Hansch Award from ...
Biocatalytic oxidation of phenolic compounds by bovine methemoglobin in the presence of H2O2: quantitative structure-activity...
... quantitative structure-activity relationships. e-Archivo Repository. Versión en español , Login ... Biocatalytic oxidation of phenolic compounds by bovine methemoglobin in the presence of H2O2: quantitative structure-activity ... and good correlation between peroxidase-like and catalase-like activities of the protein was observed. It is also shown that ... which describes the intrinsic redox activity of the substrates and the pKa-values, which are related to substrate ionization. ...
Quantitative Structure Activity Relationship Studies of Sulfamide Derivatives as Carbonic Anhydrase Inhibitor: As Antiglaucoma...
Title: Quantitative Structure Activity Relationship Studies of Sulfamide Derivatives as Carbonic Anhydrase Inhibitor: As ... Quantitative Structure Activity Relationship Studies of Sulfamide Derivatives as Carbonic Anhydrase Inhibitor: As Antiglaucoma ... In this paper we have represented "Three Dimensional Quantitative Structure Activity Relationship" study to characterize ... In this paper we have represented "Three Dimensional Quantitative Structure Activity Relationship" study to characterize ...
Interpretable correlation descriptors for quantitative structure-activity relationships | Journal of Cheminformatics | Full Text
Quantitative Structure Activity Relationship (QSAR) - BioNome
... molecules physiological activity in order to construct a model that links the chemical structure to the physiological activity ... Quantitative Structure Activity Relationship (QSAR) The 2D-QSAR technique is a drug design approach that utilizes the ... The structure data utilised in the standard two-dimensional quantitative structure-activity relationship can only represent the ... By enhancing the structural parameters, the 2D structures effectively dictates 2D QSAR (Qualitative Structure Activity ...
Unbalance Quantitative Structure Activity Relationship Problem Reduction in Drug Design
Unbalance Quantitative Structure Activity Relationship Problem Reduction in Drug Design Share "Unbalance Quantitative Structure ... Quantitative structure-activity relationship (QSAR) has been used to study the relationships between the antifungal activity ... Abstract: Problem statement: Activities of drug molecules can be predicted by Quantitative Structure Activity Relationship ( ... Quantitative structure-activity relationship of some 1-benzylbenzimidazole derivatives as antifungal agents 9 ...
Links - Optimized Strategies for Risk Assessment of Industrial Chemicals through Integration of Non-Test and Test Information
Vista do QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSAR) STUDY ON NOVEL 4-AMIDINOQUINOLINE AND 10...
Analysis of a Quantitative Relationship Between the Structure and Analgesic Activity of Meperidin Derivatives Using Semi...
MOLECULAR DOCKING AND QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR) STUDIES OF SOME SELECTED ANTI-ULCER INHIBITORS ...
Molecular docking and quantitative structure-activity relationship study of anticonvulsant activity of aminobenzothiazole ... A quantitative structure-activity relationship and molecular docking studies have been made on 30 benzo[d]thiazole series as H+ ... MOLECULAR DOCKING AND QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP (QSAR) STUDIES OF SOME SELECTED ANTI-ULCER INHIBITORS ... Aliyu Wappah Mahmud, Gideon Adamu Shallangwa, Adamu Uzairu, QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS (QSAR) STUDY ON NOVEL ...
Quantitative Structure-Activity Relationship (Qsar) Market Size - Best Online New With Newzbuds
Quantitative Structure-Activity Relationship (Qsar) Market 2020 - Understanding The Competitive Landscape. * Posted byby Nix ... According to our new market research study on "Quantitative Structure-Activity Relationship (QSAR) Market Forecast to 2027 - ... Quantitative Structure-Activity Relationship (Qsar) Market Size. 1 Posts. Tag: Quantitative Structure-Activity Relationship ( ...
4D- quantitative structure-activity relationship modeling: making a comeback - NCSU Bioinformatics Research Center
4D- quantitative structure-activity relationship modeling: making a comeback. 4D- quantitative structure-activity relationship ... Predictive Quantitative Structure-Activity Relationship (QSAR) modeling has become an essential methodology for rapidly ... and/or three-dimensional structures of molecules. However, the conformation-dependent characteristics of flexible molecules and ...
RI UFLA: Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors
ARTIGO_Quantitative structure-activity relationship studies for potential rho-associated protein kinase .pdf. 1,87 MB. Adobe ... Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors. Journal of ... Quantitative structure-activity relationship studies for potential rho-associated protein kinase inhibitors. ... as Rho-associated protein kinase inhibitors were subjected to four-dimensional quantitative structure-activity relationship (4D ...
Bisphenol analogues inhibit human and rat 17ß-hydroxysteroid dehydrogenase 1: 3D-quantitative structure-activity relationship ...
Bisphenol analogues inhibit human and rat 17ß-hydroxysteroid dehydrogenase 1: 3D-quantitative structure-activity relationship ( ... quantitative structure-activity relationship (3D-QSAR) and mode of action. We observed some bisphenols with substituents were ... and hydrogen bond acceptor are key factors for the inhibition of steroid synthesis activity of 17ß-HSD1. ...
Acronyms and Abbreviations - OECD
Quantitative Structure-Activity Relationship (QSAR) Analysis to Predict Drug-Drug Interactions of ABC Transporter ABCG2
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... analysis is a practical approach by which chemical structure is quantitatively correlated with biologi ... Abstract: Quantitative structure-activity relationship (QSAR) analysis is a practical approach by which chemical structure is ... Quantitative structure-activity relationship (QSAR) analysis is a practical approach by which chemical structure is ... Quantitative Structure-Activity Relationship (QSAR) Analysis to Predict Drug-Drug Interactions of ABC Transporter ABCG2. Author ...
Prooxidant toxicity of polyphenolic antioxidants to HL-60 cells : description of quantitative structure-activity relationships<...
Prooxidant toxicity of polyphenolic antioxidants to HL-60 cells : description of quantitative structure-activity relationships. ... Prooxidant toxicity of polyphenolic antioxidants to HL-60 cells : description of quantitative structure-activity relationships ... Prooxidant toxicity of polyphenolic antioxidants to HL-60 cells : description of quantitative structure-activity relationships ... description of quantitative structure-activity relationships. FEBS Letters. 1999;462:392-396. doi: 10.1016/S0014-5793(99)01561- ...
Solution Structural Studies of GTP:Adenosylcobinamide-Phosphateguanylyl Transferase (CobY) from Methanocaldococcus jannaschii
Quantitative Structure-Activity Relationship * Solutions Substances * Ligands * Multienzyme Complexes * Solutions * Guanosine ... As reported here, the solution structure has a mixed α/β fold consisting of seven β-strands and five α-helices, which is very ... The failure of repeated attempts to crystallize ligand-free (apo) CobY prompted us to explore its 3D structure by solution NMR ...
Quantitative structure-activity relationships on 5-substituted terbenzimidazoles as topoisomerase I poisons and antitumor...
Kim, J. S., Sun, Q., Yu, C., Liu, A., Liu, L. F., & Lavoie, E. J. (1998). Quantitative structure-activity relationships on 5- ... Kim, JS, Sun, Q, Yu, C, Liu, A, Liu, LF & Lavoie, EJ 1998, Quantitative structure-activity relationships on 5-substituted ... T1 - Quantitative structure-activity relationships on 5-substituted terbenzimidazoles as topoisomerase I poisons and antitumor ... Quantitative structure-activity relationships on 5-substituted terbenzimidazoles as topoisomerase I poisons and antitumor ...
Exploring Quantitative Structure-Activity Relationships (QSARs) of Cyclooxygenase-2 (COX-2) Inhibitors by MLR, PLS and PC-ANN.
Holistic prediction of enantioselectivity in asymmetric catalysis | Nature
These models reveal the general interactions that impart asymmetric induction and allow the quantitative transfer of this ... Application of quantitative structure activity/selectivity relationships. J. Org. Chem. 76, 4337-4357 (2011). ... Reid, J. P. & Sigman, M. S. Comparing quantitative prediction methods for the discovery of small-molecule chiral catalysts. Nat ... These models reveal the general interactions that impart asymmetric induction and allow the quantitative transfer of this ...
A k-nearest neighbor classification of hERG K+ channel blockers | Journal of Computer-Aided Molecular Design
A series of 172 molecular structures that block the hERG K+ channel were used to develop a classification model where, ... Mansouri K, Ringsted T, Ballabio D, Todeschini R, Consonni V (2013) Quantitative structure-activity relationship models for ... through to more complex quantitative structure-activity relationship (QSAR) models [12-16]. A number of QSAR models have been ... molecular insights from structure-activity relationships of clofilium and ibutilide analogs. Mol Pharmacol 69(2):509-519 ...
Quantitative Structure Activity Relationship Studies of Some New 4-Thiazolidinone Derivatives as Antimicrobial Agents | Jacob |...
Quantitative Structure Activity Relationship Studies of Some New 4-Thiazolidinone Derivatives as Antimicrobial Agents ... Quantitative Structure Activity Relationship Studies of Some New 4-Thiazolidinone Derivatives as Antimicrobial Agents. Research ... Quantitative Structure Activity Relationship Studies of Some New 4-Thiazolidinone Derivatives as Antimicrobial Agents. ... In the present study, quantitative structure activity relationship (QSAR) studies have been performed on series of 24 compounds ...
Structure activity relationship (SAR) and quantitative structure activity relationship (QSAR) studies showed plant flavonoids...
Out of more than hundred plant flavonoids, ten flavonoid structures are presented in this study. On the basis of best docking ... The value of correlation coefficient (r) 0.95 shows that there was a good correlation between flavonoid structures and selected ... These flavonoids can directly work as anti-dengue drug or with little modifications in their structures. ... Studies about structure activity relationship (SAR) and quantitative structure activity relationship (QSAR). The Structure- ...
Development of quantitative structure-activity relationships for explanatory modeling of fast reacting (meth)acrylate monomers...
IJMS | Free Full-Text | Beyond the Flavour: The Potential Druggability of Chemosensory G Protein-Coupled Receptors
Quantitative Structure-Activity Relationship. References. *Sriram, K.; Insel, P.A. G Protein-Coupled Receptors as Targets for ... of analogue compounds will provide data for ligand-based analysis to determine a quantitative structure-activity relationship ( ... Tautermann, C.S. GPCR structures in drug design, emerging opportunities with new structures. Bioorg. Med. Chem. Lett. 2014, 24 ... Despite the great progress in GPCR structure determination, no experimental structure of a csGPCR is currently available and 3D ...
Machine Learning-Based Quantitative Structure-Activity Relationship and ADMET Prediction Models for ERα Activity of Anti-Breast...
3D quantitative structure activity relationships with CoRSA. Comparative receptor surface analysis. Application to calcium ... Free and Open Source Chemistry Software in Research of Quantitative Structure-Toxicity Relationship of Pesticides MATEC Web of ... The top 20 variables that have the greatest influence on biological activity ...