Quantitative Structure-Activity Relationships (QSAR)
QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS ANALYSIS OF THE ANTICONVULSANT ACTIVITY OF ERYTHRININE
... biological activity of Erythrinine against human nicotinic acetyl cholinergic receptor by quantitative structure-activity relationships (QSAR) and determine the anticonvulsant ...
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Modelling quantitative structure activity relationships between animal behaviour and environmental signal molecules
... Quantitative structure–activity relationships (QSARs) between the physicochemical properties of environmental signal molecules and animal behaviour have been ...
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Quantitative structure activity relationships in computer aided molecular design
... the Quantitative Structure Activity Relationships (QSAR) that the biological properties of any compound is determined by its structural ...chemical structure of a compound and its ...
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Quantitative structure-activity relationships for green algae growth inhibition by polymer particles
... developed Quantitative Structure-Activity Relationships (QSARs) for a set of highly structural diverse polymers which are capable to estimate green algae growth inhibition ...
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Quantitative structure activity relationships of antioxidant phenolic compounds
... antioxidant activity has been discussed in several works [15,17-20], and many authors have tried to construct mathematical models ...(e.g., Quantitative Structure-Activity ...
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A Review of Recent Advances towards the Development of (Quantitative) Structure-Activity Relationships for Metallic Nanomaterials
... Abstract: Gathering required information in a fast and inexpensive way is essential for assessing the risks of engineered nanomaterials (ENMs). The extension of conventional (quantitative) ...
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Quantitative Structure Activity Relationships in Computer Aided Drug Design: A Review
... no Structure Activity Relationships information regarding any chemical ...like Structure-based design, Ligand-based design, database searching and binding ...biological activity. It is ...
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Quantitative structure activity relationships of some N1-aryl/heteroarylaminomethyl/ethyl-1,2,4-triazoles
... activity relationships (QSAR) and quantitative structure properties relationships (QSPR) play a central role in this effort, and those methods are unquestionably of great importance in ...
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The Measurement of Molecular Biological Activity based on Quantitative Structure Activity Relationships
... and Quantitative Structure Activity Relationship (QSAR) allow the production of new substances with pre- decided properties and correlate the structure to biological activity, which ...
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Quantitative Structure Activity Relationships (QSAR) study and improving it of some schiff base ligands as anticancer for prostate cancer
... The compounds carrying azomethine functional group –C=N- which are known as Schiff bases gain importance in medicinal and pharmaceutical field due to the most versatile organic synthetic intermediates and also showing a ...
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Interpretable correlation descriptors for quantitative structure-activity relationships
... Classic QSAR methods, developed by Hansch [5], pro- vided a foundation on which numerous QSAR methods are now based: the correlation of physicochemical proper- ties to activity using multivariable regression. ...
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2D QSAR Studies of Several Potent Aminopyridine, Anilinopyrimidine and Pyridine Carboxamide-based JNK Inhibitors
... The c-Jan N-terminal kinases are members of the mitogen activated protein kinase family of signaling proteins. Amino pyridine based compounds, 4-anilino pyrimidine derivatives, and 2-pyridine carboxamide derivatives have ...
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Atomic Physicochemical Parameters for Three Dimensional Structure Directed Quantitative Structure Activity Relationships II Modeling Dispersive and Hydrophobic Interactions
... The molar refractivity values were either obtained from the compilation of VogelI6 or evaluated from the molecular weight, density, and refractive index values.” Some of the parameters w[r] ...
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A Quantitative Structure-activity Relationships
... (CAPSO) is proposed, which is used to molecular descriptors screening and optimization of the 15.. weights of back propagation artificial neural network (BP ANN).[r] ...
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A REVIEW ON- QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP
... In QSAR analysis, it is imperative that the biological data be both accurate and precise to develop a meaningful model. It must be realized that any resulting QSAR model that is developed is only as valid statistically ...
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Titanocene / cyclodextrin supramolecular systems: a theoretical approach
... Quantitative structure-activity relationships (QSARs) Molecular modelling and conformational analysis of tita- nocenes were performed by using the default parameters of MM+ functionality from ...
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Some Algebraic Polynomials and Topological Indices of Octagonal Network
... which quantitative structure-activity (QSAR) and Structure-property (QSPR) relationships predict the biological activities and properties of nanomaterial see ...
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Search | Preprints
... of quantitative structure – property / activity relationships (QSPRs/QSARs) to serve for epistemological processes in natural sciences is ...
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Application of neural network to quantitative structure anti-HIV activity relationships of flavonoid compounds
... (anti-HIV) activity for 26 flavonoîd compounds based on quantitative structure- activity relationship method ...anti-HIV activity than linear ...
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Design, synthesis, and structure–activity relationships of 2-benzylidene-1-indanone derivatives as anti-inflammatory agents for treatment of acute lung injury
... To determine whether the decrease in LPS-induced mac- rophages might be associated with transcriptional inhibition, messenger RNA (mRNA) levels of TNF- α , IL-6, IL-1 β , and intercellular adhesion molecule 1 (ICAM-1) ...
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