Quantitative Structure-Activity Relationships
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 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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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 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 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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Quantitative Structure Activity Relationships in Computer Aided Drug Design: A Review
... The pipeline of drug discovery from idea to market consists of seven stepsviz. disease selection, target selection, lead compound identification and leadoptimization, preclinical trial testing, clinical trial testing and ...
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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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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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Quantitative Structure Activity Relationships (QSAR) study and improving it of some schiff base ligands as anticancer for prostate cancer
... an activity against prostate ...the activity of Schiff-base ...biological activity have been drawn up by using the multiple regression ...biological activity of the studied compounds affected ...
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Classification and interpretation in quantitative structure-activity relationships
... format is to allow ease of manipulation and enabled the use of existing tools. The depictions from the chemical trees are instantly more familiar to chemists and more meaningful than the visualisation that Weka pro- ...
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Interpretable correlation descriptors for quantitative structure-activity relationships
... inhibitor activity was to measure the rate of hippuric acid production from HHL catalyzed by ACE ...the structure-activity relationship shown by this data set is likely to reflect that of C-terminal ...
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The Measurement of Molecular Biological Activity based on Quantitative Structure Activity Relationships
... then the most commonly occurring pattern may be identified by these methods. The technique used by combinatorial chemistry ensures that the tabulated data is the widest possible so that it covers the widest possible ...
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Application of neural network to quantitative structure anti-HIV activity relationships of flavonoid compounds
... In the following step, we used the three descriptors selected in model 2 for building a three- layered NN employing BP learning strategy. These three neurons constitute the input layer and describe the three variables ...
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Computational Analysis of Structure-Activity Relationships : From Prediction to Visualization Methods
... chemical structure can signicantly alter compound activity ...term activity cli refers to compound pairs showing high structural similarity but large dierences in activity ...[14]. ...
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A REVIEW ON- QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP
... biological activity with physicochemical properties is often termed an extra thermodynamic ...represents relationships between the logarithms of rate or equilibrium constants and substituent ...these ...
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QUANTITATIVE STRUCTURE RETENTION RELATIONSHIPS (QSRR) IN CHR pdf
... It is often suf R cient to identify and employ a speci- R c chromatographic system yielding hydrophobicity values of analytes best conforming to log P data. Normally, chromatographic systems that produce re- tention ...
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Inhibition of human carboxylesterases by ginsenosides: structure–activity relationships and inhibitory mechanism
... the activity and expression of hCES2A and then affect the pharma- cokinetic behaviors of hCES2A substrates, which may be beneficial to patients receiving ...
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Structure activity relationships regarding the antioxidant effects of the flavonoids on human erythrocytes
... antioxidant activity are capable of exerting protective effects against oxidative stress in biological systems ...antioxidant activity of phenols and flavonoids is mainly due to their redox properties, ...
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