Browsing by Subject "prediction"
Now showing items 1-20 of 31
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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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Biphasic modeling of brain tumor biomechanics and response to radiation treatment
(2016)Biomechanical forces are central in tumor progression and response to treatment. This becomes more important in brain cancers where tumors are surrounded by tissues with different mechanical properties. Existing mathematical ...
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Brownian-like kinematics of ball milling for particulate structural modeling
(2016)Ball milling motion has been previously studied through computationally expensive, off-line experimental video processing and numerical simulations by the discrete element method. This research establishes a more efficient ...
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A combined LS-SVM & MLR QSAR workflow for predicting the inhibition of CXCR3 receptor by quinazolinone analogs
(2010)AnovelQSARworkflowis constructed that combines MLR with LS-SVM classification techniques for the identification of quinazolinone analogs as "active" or "nonactive" CXCR3 antagonists. The accuracy of the LS-SVM classification ...
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Comparison of three-jet events in pp̄ collisions at √s = 1.8 TeV to predictions from a next-to-leading order QCD calculation
(2005)The properties of three-jet events with total transverse energy greater than 320 GeV and individual jet energy greater than 20 GeV have been analyzed and compared to absolute predictions from a next-to-leading order (NLO) ...
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Computational predictions of the tensile properties of electrospun fibre meshes: Effect of fibre diameter and fibre orientation
(2008)The mechanical properties of biomaterial scaffolds are crucial for their efficacy in tissue engineering and regenerative medicine. At the microscopic scale, the scaffold must be sufficiently rigid to support cell adhesion, ...
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Computational sidechain placement and protein mutagenesis with implicit solvent models
(2007)Structure prediction and computational protein design should benefit from accurate solvent models. We have applied implicit solvent models to two problems that are central to this area. First, we performed sidechain placement ...
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Hindcast of oil-spill pollution during the Lebanon crisis in the Eastern Mediterranean, July-August 2006
(2011)MOON (Mediterranean Operational Oceanography Network http://www.moon-oceanforecasting.eu) provides near-real-time information on oil-spill detection (ocean color and SAR) and predictions [ocean forecasts (MFS and CYCOFOS) ...
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iLIR database: A web resource for LIR motif-containing proteins in eukaryotes
(2016)Atg8-family proteins are the best-studied proteins of the core autophagic machinery. They are essential for the elongation and closure of the phagophore into a proper autophagosome. Moreover, Atg8-family proteins are ...
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Image-based multiscale modeling predicts tissue-level and network-level fiber reorganization in stretched cell-compacted collagen gels
(2009)The mechanical environment plays an important role in cell signaling and tissue homeostasis. Unraveling connections between externally applied loads and the cellular response is often confounded by extracellular matrix ...
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Ligand - Based virtual screening procedure for the prediction and the identification of novel β-amyloid aggregation inhibitors using Kohonen maps and Counterpropagation Artificial Neural Networks
(2011)In this work we have developed an in silico model to predict the inhibition of β-amyloid aggregation by small organic molecules. In particular we have explored the inhibitory activity of a series of 62 N-phenylanthranilic ...
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Measurement of the W boson polarization in top decay at CDF at √s = 1.8 TeV
(2005)The polarization of the W boson in t →Wb decay is unambiguously predicted by the standard model of electroweak interactions and is a powerful test of our understanding of the tbW vertex. We measure this polarization from ...
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Nest-site preferences of Eleonora's Falcon (Falco eleonorae) on uninhabited islets of the Aegean Sea using GIS and species distribution models
(2012)Eleonora's Falcon breeds colonially on small islands of the Mediterranean Sea and Macaronesia. Despite the wealth of papers highlighting the importance of nesting characteristics on this species' breeding performance, few ...
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A novel QSAR model for evaluating and predicting the inhibition activity of dipeptidyl aspartyl fluoromethylketones
(2006)A linear quantitative structure activity relationship model is obtained using Multiple Linear Regression (MLR) analysis as applied to a series of 49 dipeptidyl aspartyl fluoromethylketone derivatives with inhibitory activity ...
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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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Oligoacetic acid characterization by isocratic and linear salt gradient anion-exchange chromatography
(2001)A homologous series of four oligomers of acetic acid (namely acetic acid, succinic acid, tricarballylic acid, and tetracarboxylic acid) is characterized using isocratic and linear salt gradient anion-exchange chromatography. ...
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On count time series prediction
(2015)We consider the problem of assessing prediction for count time series based on either the Poisson distribution or the negative binomial distribution. By a suitable parametrization we employ both distributions with the same ...
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Optimization of biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists using QSAR modeling, classification techniques and virtual screening
(2007)This paper presents the results of an optimization study on biaryl piperidine and 4-amino-2-biarylurea MCH1 receptor antagonists, which was accomplished by using quantitative-structure activity relationships (QSARs), ...
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Predicting precipitation level
(1996)We present a generalized logistic regression model for the statistical analysis of multicategorical time series. The model is suitably parameterized and partial likelihood inference is proposed for estimation of the unknown ...
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Prediction and Classification of Non-stationary Categorical Time Series
(1998)Partial likelihood analysis of a general regression model for the analysis of non-stationary categorical time series is presented, taking into account stochastic time dependent covariates. The model links the probabilities ...