Browsing by Subject "accuracy"
Now showing items 1-12 of 12
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A novel QSPR model for predicting θ (lower critical solution temperature) in polymer solutions using molecular descriptors
(2007)In this study, we present a new model that has been developed for the prediction of θ, (lower critical solution temperature) using a database of 169 data points that include 12 polymers and 67 solvents. For the characterization ...
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Analytical separations using molecular micelles in open-tubular capillary electrochromatography
(2002)Open-tubular capillary electrochromatography (OT-CEC) is an alternative approach to conventional CEC. The primary advantage of OT-CEC is the elimination of problems associated with frits and silica particles in conventional ...
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Crystallographic and computational studies on 4-phenyl-N-(β-D- glucopyranosyl)-1H-1,2, 3-triazole-1-acetamide, an inhibitor of glycogen phosphorylase: Comparison with α-D-glucose, N-acetyl-β-D- glucopyranosylamine and N-benzoyl-N′-β-D-glucopyranosyl urea binding
(2008)4-Phenyl-N-(β-D-glucopyranosyl)-1H-1,2,3-triazole-1-acetamide (glucosyltriazolylacetamide) has been studied in kinetic and crystallographic experiments with glycogen phosphorylase b (GPb), in an effort to utilize its ...
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Article
Development and evaluation of a QSPR model for the prediction of diamagnetic susceptibility
(2008)A novel QSPR model is developed and evaluated for the prediction of diamagnetic susceptibility. The model was produced using the Multiple Linear Regression (MLR) technique on a database that consists of 406 organic compounds ...
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Development of a capillary electrophoresis-mass spectrometry method for the determination of rivastigmine in human plasma - Optimization of the limits of detection and quantitation
(2012)A capillary zone electrophoresis-electrospray ionization-mass spectrometry (CZE-ESI-MS) method was developed for the analysis of the acetylcholinesterase inhibitor rivastigmine. Several electrophoretic and ESI-MS parameters ...
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Hemodynamics in stenotic vessels of small diameter under steady state conditions: Effect of viscoelasticity and migration of red blood cells
(2015)BACKGROUND: In microcirculation, the non-Newtonian behavior of blood and the complexity of the microvessel network are responsible for the high flow resistance and the large reduction of the blood pressure. Red blood cell ...
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In silico assessment of mouth-throat effects on regional deposition in the upper tracheobronchial airways
(2018)Regional deposition of inhaled medicines is a valuable metric of effectiveness in drug delivery applications to the lung. In silico methods are now emerging as a valuable tool for the detailed description of localized ...
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Investigation of substituent effect of 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides on CCR5 binding affinity using QSAR and virtual screening techniques
(2006)A linear quantitative-structure activity relationship model is developed in this work using Multiple Linear Regression Analysis as applied to a series of 51 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides derivatives ...
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Measurement of B-meson lifetimes using fully reconstructed B decays produced in pp̄ collisions at √s = 1.8 TeV
(2002)We present an improved measurement of b-meson lifetimes using fully reconstructed B-decays produced in pp̄ collisions at √s = 1.8 TeV, using 114 pb-1 of data collected at the Collider Detector at Fermilab. We obtain τ(B+) ...
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A novel simple QSAR model for the prediction of anti-HIV activity using multiple linear regression analysis
(2006)A quantitative-structure activity relationship was obtained by applying Multiple Linear Regression Analysis to a series of 80 1-[2-hydroxyethoxy-methyl] -6-(phenylthio) thymine (HEPT) derivatives with significant anti-HIV ...
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Selection of cancer chemopreventive agents based on inhibition of topoisomerase II activity
(2000)The present study was undertaken to determine if in vitro inhibition of one or both of the two most dominant mammalian DNA topoisomerases (topos) is common among chemopreventive agents. To determine if an agent was a topo ...
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Static three-quark SU(3) and four-quark SU(4) potentials
(2002)We present results on the static three- and four-quark potentials in SU(3) and SU(4), respectively, within quenched lattice QCD. We use an analytic multihit procedure for the time links and a variational approach to determine ...