Search results for "component"

showing 10 items of 1682 documents

Combined use of PCA and QSAR/QSPR to predict the drugs mechanism of action. An application to the NCI ACAM Database

2009

During the years the National Cancer Institute (NCI) accumulated an enormous amount of information through the application of a complex protocol of drugs screening involving several tumor cell lines, grouped into panels according to the disease class. The Anti-cancer Agent Mechanism (ACAM) database is a set of 122 compounds with anti-cancer activity and a reasonably well known mechanism of action, for which are available drug screening data that measure their ability to inhibit growth of a panel of 60 human tumor lines, explicitly designed as a training set for neural network and multivariate analysis. The aim of this work is to adapt a methodology (previously developed for the analysis of …

Quantitative structure–activity relationshipMultivariate analysisDatabaseArtificial neural networkMechanism (biology)Computer scienceOrganic Chemistrycomputer.software_genreSettore CHIM/08 - Chimica FarmaceuticaComputer Science ApplicationsSet (abstract data type)Mechanism of actionTest setDrug DiscoveryPrincipal component analysisAnti-cancer Agent Mechanism database PCA QSAR/QSPR Mechanism of actionmedicineData miningmedicine.symptomcomputer
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Modeling the chiral resolution ability of highly sulfated β-cyclodextrin for basic compounds in electrokinetic chromatography

2013

Abstract Despite the fact that extensive research in the field of enantioseparations by capillary electrophoresis has been carried out, it is difficult to predict whether a concrete chiral selector would be useful for the separation of a racemic compound. Hence, several experimental effort is necessary to test the abilities of individual chiral selectors, usually by trial and error procedures. Thus, the enantioseparation of a new racemate becomes a time- and money-consuming task. In this work, the ability of highly sulfated β-cyclodextrin (HS-β-CD) as chiral selector in electrokinetic chromatography (EKC) is modeled for the first time, using exclusively directly-available structural data of…

Quantitative structure–activity relationshipQuantitative Structure-Activity RelationshipBiochemistryAnalytical ChemistryPolar surface areaElectrokinetic phenomenaCapillary electrophoresisPartial least squares regressionLeast-Squares AnalysisChromatography Micellar Electrokinetic Capillarychemistry.chemical_classificationPrincipal Component AnalysisChromatographyCyclodextrinSulfatesChemistrybeta-CyclodextrinsOrganic ChemistryTemperatureStereoisomerismGeneral MedicineHydrogen-Ion ConcentrationBupivacaineChiral resolutionPartition coefficientModels ChemicalPharmaceutical PreparationsJournal of Chromatography A
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Toward Pricing Financial Derivatives with an IBM Quantum Computer

2021

Pricing interest-rate financial derivatives is a major problem in finance, in which it is crucial to accurately reproduce the time evolution of interest rates. Several stochastic dynamics have been proposed in the literature to model either the instantaneous interest rate or the instantaneous forward rate. A successful approach to model the latter is the celebrated Heath-Jarrow-Morton framework, in which its dynamics is entirely specified by volatility factors. In its multifactor version, this model considers several noisy components to capture at best the dynamics of several time-maturing forward rates. However, as no general analytical solution is available, there is a trade-off between t…

Quantum Physicsterm structureCondensed Matter - Mesoscale and Nanoscale PhysicsComputer scienceinterest-ratesTime evolutionGeneral Physics and AstronomyFOS: Physical sciencesmacromolecular substancesalgorithms01 natural sciences010305 fluids & plasmasForward rate0103 physical sciencesPrincipal component analysisMesoscale and Nanoscale Physics (cond-mat.mes-hall)Statistical physicsIBM010306 general physicsQuantum Physics (quant-ph)QuantumQuantum computer
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Vanishing chiral couplings in the large-Nc resonance theory

2007

5 pages, 2 figures.-- PACS nrs.: 12.39.Fe; 11.15.Pg; 12.38.-t.-- ISI Article Identifier: 000247625300022.-- ArXiv pre-print available at: http://arxiv.org/abs/hep-ph/0611375

Quantum chromodynamicsPhysicsNuclear and High Energy PhysicsParticle physicsChiral perturbation theory[PACS] Chiral Lagrangians in quark modelsHigh Energy Physics::LatticeHigh Energy Physics::PhenomenologyForm factor (quantum field theory)FOS: Physical sciencesPerturbation theoryResonance (particle physics)Low-energy constantsHigh Energy Physics - Phenomenologysymbols.namesake[PACS] Expansions for large numbers of components (e.g. 1/Nc expansions) in gauge theoriesHigh Energy Physics - Phenomenology (hep-ph)Quantum Chromodynamics (QCD)Resonance theorysymbolsPerturbation theoryChirality (chemistry)Lagrangian
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Quantum counter-propagation in open optical cavities via the quasi-normal-mode approach

2006

By using the quasi-normal-mode (QNM) formalism in a second quantization scheme, the problem of the counter-propagation of electromagnetic fields inside optical cavities is studied. The links between QNM operators and canonical destruction and creation operators describing the external free field, as well as the field correlation functions, are found and discussed. An application of the theory is performed for open cavities whose refractive index satisfies symmetric properties.

Quantum opticsElectromagnetic fieldPhysicsPhysics::OpticsCondensed Matter PhysicsFree fieldWave equationSecond quantizationIndustrial and Manufacturing EngineeringAtomic and Molecular Physics and OpticsWAVE-EQUATIONQuantization (physics)OPEN SYSTEMSNormal modeCOMPLETENESSQuantum mechanicsInstrumentationQuantum2-COMPONENT EIGENFUNCTION EXPANSIONLaser Physics
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Including Covariates in the ETAS Model Triggered Seismicity

2020

The paper proposes a stochastic process that improves the assessment of seismic events in space and time, considering a contagion model (branching process) within a regression-like framework to take covariates into account. The proposed approach develops the Forward Likelihood for prediction (FLP) method for estimating the ETAS model, including covariates in the model specification of the epidemic component. A simulation study is carried out for analysing the misspecification model effect under several scenarios. Also an application to the Italian catalogue is reported, together with the reference to the developed R package.

R packageSpecificationSpacetimeComputer scienceStochastic processComponent (UML)CovariateEconometricsStatistics::MethodologyInduced seismicityBranching processSSRN Electronic Journal
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The contribution of epistasis to the architecture of fitness in an RNA virus

2004

4 pages, 2 figures.-- PMID: 15492220 [PubMed].-- PMCID: PMC524436.-- Additional information (Suppl. table S1: Relevant information about each single- and double-nucleotide substitution mutant created) available at: http://www.pnas.org/content/101/43/15376/suppl/DC1

RNA virusesGeneticsDNA ComplementaryMultidisciplinarybiologyEpistasis and functional genomicsRNAEpistasis GeneticEvolutionary biologyRNA virusBiological Sciencesbiology.organism_classificationGenomeInteractions among genome componentsVesicular stomatitis virusFitnessFisher's geometric modelGenotypeMutagenesis Site-DirectedEpistasisRNA VirusesEpistasisCloning MolecularMutationsProceedings of the National Academy of Sciences
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CAD of complex passive devices composed of arbitrarily shaped waveguides using Nyström and BI-RME methods

2004

In this paper, a novel computer-aided design (CAD) tool of complex passive microwave devices in waveguide technology is proposed. Such a tool is based on a very efficient integral-equation analysis technique that provides a full-wave characterization of discontinuities between arbitrarily shaped waveguides defined by linear, circular, and/or elliptical arcs. For solving the modal analysis of such arbitrary waveguides, a modified version of the well-known boundary integral-resonant-mode expansion (BI-RME) method using the Nyström approach, instead of the traditional Galerkin version of the method of moments, is proposed, thus providing significant savings on computational costs and implement…

RadiationModal analysisMethod of momentsCADMethod of moments (statistics)Condensed Matter Physicscomputer.software_genreTopologyWaveguide (optics)Waveguide componentsDiscontinuity (linguistics)Waveguide discontinuitiesTeoría de la Señal y ComunicacionesElectronic engineeringNyström methodComputer Aided DesignElectromagnetismoElectrical and Electronic EngineeringGalerkin methodcomputerIntegral equationsMathematics
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Dynamic integration of classifiers in the space of principal components

2003

Recent research has shown the integration of multiple classifiers to be one of the most important directions in machine learning and data mining. It was shown that, for an ensemble to be successful, it should consist of accurate and diverse base classifiers. However, it is also important that the integration procedure in the ensemble should properly utilize the ensemble diversity. In this paper, we present an algorithm for the dynamic integration of classifiers in the space of extracted features (FEDIC). It is based on the technique of dynamic integration, in which local accuracy estimates are calculated for each base classifier of an ensemble, in the neighborhood of a new instance to be pr…

Random subspace methodInformation extractionComputingMethodologies_PATTERNRECOGNITIONComputer sciencePrincipal component analysisFeature extractionData miningcomputer.software_genrecomputerClassifier (UML)Numerical integrationInformation integrationCurse of dimensionality
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Filamentous fungi transported by birds during migration across the mediterranean sea.

2013

The potential for the transport and diffusion of some pathogenic microorganisms by migratory birds is of concern. Migratory birds may be involved in the dispersal of microorganisms and may play a role of mechanical and biological vectors. The efficiency of dispersal of pathogenic microorganisms depends on a wide range of biotic and abiotic factors that influence the survival or disappearance of a given agent in a geographical area. In the present study, 349 migratory birds were captured in four sites (Mazara del Vallo, Lampedusa, Ustica and Linosa), representing the main stop-over points during spring and autumnal migration, and analyzed for the presence of filamentous fungi. A total of 2,3…

Range (biology)MicroorganismCladosporium cladosporioidesApplied Microbiology and BiotechnologyMicrobiologyAlternaria alternataBirdsMediterranean seaSpecies levelMediterranean SeaAnimalsHumansAnimals; Birds; Humans; Mediterranean Region; Mediterranean Sea; Molecular Typing; Mycological Typing Techniques; Mycoses; Animal Migration; FungiMycological Typing TechniquesAbiotic componentbiologyEcologyMediterranean RegionFungiGeneral Medicinebiology.organism_classificationfungi identification birds migration SicilyMolecular TypingMycosesBiological dispersalAnimal MigrationSettore AGR/16 - Microbiologia AgrariaCurrent microbiology
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