[PDF] Top 20 Quantitative Structure-Activity Analysis of Triazines
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Quantitative Structure-Activity Analysis of Triazines
... Experimental and predicted pIC50 values for triazine interactions with polyclonal antibodies. 103[r] ... See full document
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“In Vitro, In Vivo and In Silico Radioprotective Activity of Ethanol and Aqueous Extracts of Pterocarpus marsupium” by Vinutha K, Vidya SM, Suchetha N Kumari, Ganesh Sanjeev, NagendraHG, Pradeepa, Vaman C Rao, India.
... 2D quantitative structure activity relationship (QSAR) analysis using 20 compounds of Pm, various geometric, lipophilic, electronic and spatial descriptors were correlated with radioprotective ... See full document
9
Quantitative Structure Activity Relationship Analysis of Selected Chalcone Derivatives as Mycobacterium tuberculosis Inhibitors
... anti-tuberculosis activity by chalcone derivatives of 1,3-diphenylprop-2-ene-1-one, quantitative structure activity relationship (QSAR) was performed using genetic function approximation ... See full document
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BINARY QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP ANALYSIS IN RETROSPECTIVE STRUCTURE BASED VIRTUAL SCREENING CAMPAIGNS TARGETING ESTROGEN RECEPTOR ALPHA
... QSAR analysis using ChemPLP score and PLIF bitstrings of the best pose of every compound as descriptors (SBVS_2) [26], and (iii) using decision tree resulted from the binary QSAR analysis using ensPLIF of ... See full document
6
Pharmacoinformatic Studies on 4-Thiazolyl-phenoxy Tail Containing Indanyl Acetic Acid Derivatives as PPAR-Pan Agonists as Potent Anti-Diabetic Agent
... Methods: Quantitative Structure-Activity Relationship (QSAR) study is performed by means of Multiple Linear Regression (MLR) analysis on a set of indanyl acetic acid derivatives followed by ... See full document
11
Quantitative structure activity relationship studies of anti-proliferative activity of some indole derivatives combining DFT calculations and statistical results
... the quantitative structure-activity relationship ...component analysis (PCA) method, the multiple linear regression method (MLR), non-linear regression (RNLM), the artificial neural network ... See full document
11
3D QSAR OF N SUBSTITUTED IMIDAZOLES AS ANTIFUNGAL AGENTS
... antifungal activity by three-dimensional quantitative structure-activity relationship (3D- QSAR) using comparative molecular field analysis ... See full document
20
QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS ANALYSIS OF THE ANTICONVULSANT ACTIVITY OF ERYTHRININE
... years quantitative structure-property relationships (QSPR) and QSAR models have gained extensive recognition in physical, organic, analytical, pharmaceutical and medicinal chemistry, biochemist, chemical ... See full document
5
Therapeutic journey of synthetic betacarboline derivatives: A short review
... Quantitative structure–activity relationship (QSAR) studies have been performed on β- carboline derivatives to explore the structural necessities for antitumor ...Field Analysis [(SW) kNN MFA] ... See full document
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“The application of a 3D-QSAR Approach for 7-(4H-1,2,4-Triazol-3-yl)benzo[c][2,6]naphthyridine Derivatives as PIM – 1 Inhibitors” by Shravan Kumar Gunda, Salwa Shaik, Sharada Durgam, Mahmood Shaik, India.
... dimensional quantitative structure activity relationships and docking ...dimensional quantitative structure activity relationship (3D-QSAR) methods, such as CoMFA 9 (Comparative ... See full document
7
QSAR PREDICTION OF N-OCTANOL/WATER PARTITION COEFFICIENT FOR POLYCHLORINATED BIPHENYLS
... compounds. Quantitative structure–activity relationship (QSAR) model for logKow of 133 polychlorinated biphenyls (PCBs) is analyzed using multiple linear regression analysis (MLRA) followed by ... See full document
12
Quantitative Structure Activity Relationship Studies of 4-Methyl-2-(p-Substitutedphenyl) Quinoline Derivatives as Potential Antifungal Agents
... of Quantitative Structure Activity Relationship(QSAR) study carried out using regression analysis and statistically significant (r 2 ) QSAR ... See full document
6
Validation Method Used In Quantitative Structure Activity Relationship
... Principle component analysis is statistical method that is used to multidimensional data sets to lower dimension data sets for analysis. It involves a mathematical procedure that transforms a number of ... See full document
12
Three dimensional quantitative structure analysis substituted 1,3 diaryl propenone derivatives as antimalarial activity
... Molecular Modeling Study: Molecular modeling and kNN-MFA study was performed on the software Molecular Design Suite (MDS) 4.1.19092011 [21]. The selected dataset were aligned by template based method using most active ... See full document
7
Structure Activity Relationship Analysis of Antioxidant Activity of Simple Benzene Carboxylic Acids Group Based on Multiple Linear Regression
... Quantitative structure–activity relationship (QSAR), originally evolved from physical organic chemistry, has now evolved as a well-recognized tool for application in chemistry when a biological ... See full document
5
Quantitative structure activity relationships of antioxidant phenolic compounds
... antioxidant activity [15]. A stepwise linear regression analysis was performed in order to obtain a correlation between these putative descriptors and the experimental antioxidant activity of these ... See full document
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Quantitative Structure Activity Relationship (QSAR) Based on Electronic Descriptors and Docking Studies of Quinazoline Derivatives for Anticancer Activity
... predict activity and design new molecule. Following QSAR analysis, Lipinski rules was applied to filter the design compound due to physicochemical properties and resulted that all filtered compounds did not ... See full document
9
Quantitative Structure Activity Relationship (QSAR) Analysis on Arylbenzofuran Derivatives as Histamine H3 Antagonists
... In this equation n is the number of molecules (Training set) used to derive the QSAR model, r 2 is the squared correlation coefficient, q 2 is the cross-validated correlation coefficient, pred_r 2 is the predicted ... See full document
8
Three-dimensional quantitative structure–activity relationship and docking studies in a series of anthocyanin derivatives as cytochrome P450 3A4 inhibitors
... mutagenic activity of mammalian ...three-dimensional quantitative structure–activity relationship (3D-QSAR) in a series of anthocyanin derivatives as CYP3A4 ...field analysis (CoMFA) ... See full document
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Biological activity, quantitative structure–activity relationship analysis, and molecular docking of xanthone derivatives as anticancer drugs
... anticancer activity were conducted by using the semi- empirical Austin Model-1 method, and continued with quantitative structure-activity relationship (QSAR) analysis using BuildQSAR ... See full document
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