Search results for "Multilinear"

showing 10 items of 43 documents

DesMol2, an Effective Tool for the Construction of Molecular Libraries and Its Application to QSAR Using Molecular Topology

2019

A web application, DesMol2, which offers two main functionalities, is presented: the construction of molecular libraries and the calculation of topological indices. These functionalities are explained through a practical example of research of active molecules to the formylpeptide receptor (FPR), a receptor associated with chronic inflammation in systemic amyloidosis and Alzheimer&rsquo

Models MolecularMultilinear mapQuantitative structure–activity relationshiplinear discriminant analysisComputer scienceQuantitative Structure-Activity RelationshipPharmaceutical ScienceComputational biology01 natural sciencesArticleAnalytical ChemistrySmall Molecule Librarieslcsh:QD241-44103 medical and health scienceslcsh:Organic chemistryDrug DiscoveryPhysical and Theoretical ChemistryPiperazineDesMol2030304 developmental biology0303 health sciencesMolecular Structure010405 organic chemistryOrganic Chemistrymolecular librariesBase (topology)Linear discriminant analysisReceptors Formyl PeptideSystemic amyloidosis0104 chemical sciencestopology descriptorsmultilinear regression analysisDiscriminantChemistry (miscellaneous)Molecular MedicineMultiple linear regression analysisMolecular topologyAlzheimer’s diseaseDatabases ChemicalSoftwareProtein BindingMolecules
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Predicting Skin Permeability by Means of Computational Approaches: Reliability and Caveats in Pharmaceutical Studies

2019

The skin is the main barrier between the internal body environment and the external one. The characteristics of this barrier and its properties are able to modify and affect drug delivery and chemical toxicity parameters. Therefore, it is not surprising that permeability of many different compounds has been measured through several in vitro and in vivo techniques. Moreover, many different in silico approaches have been used to identify the correlation between the structure of the permeants and their permeability, to reproduce the skin behavior, and to predict the ability of specific chemicals to permeate this barrier. A significant number of issues, like interlaboratory variability, experim…

Molecular dynamicComputer scienceGeneral Chemical EngineeringSkin AbsorptionSkin permeabilityLibrary and Information SciencesPrinciple component regressionPartial least square01 natural sciencesModels BiologicalQuantitative structure-property relationship0103 physical sciencesDrug DiscoveryAnimalsHumansComputer SimulationSite of originSkinIn silico prediction010304 chemical physicsChemical toxicityGeneral ChemistrySettore CHIM/08 - Chimica Farmaceutica0104 chemical sciencesComputer Science ApplicationsMultilinear regression010404 medicinal & biomolecular chemistryPharmaceutical PreparationsDrug deliverySkin permeabilityBiochemical engineeringAlgorithms
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On Discovering Low Order Models in Biochemical Reaction Kinetics

2007

We develop a method by which a large number of differential equations representing biochemical reaction kinetics may be represented by a smaller number of differential equations. The basis of our technique is a conjecture that the high dimension equations of biochemical kinetics, which involve reaction terms of specific forms, are actually implementing a low dimension system whose behavior requires right hand sides that can not be biochemically implemented. For systems that satisfy this conjecture, we develop a simple approximation scheme based on multilinear algebra that extracts the low dimensional system from simulations of the high dimension system. We demonstrate this technique on a st…

Multilinear algebraNonlinear systemBasis (linear algebra)Dimension (vector space)Settore ING-INF/04 - AutomaticaSimple (abstract algebra)Differential equationMathematical analysisChaoticApplied mathematicsDimensional modelingKinetic theory Nonlinear equations Polynomials Differential equationsMathematics
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Traced tensor norms and multiple summing multilinear operators

2016

[EN] Using a general tensor norm approach, our aim is to show that some distinguished classes of summing operators can be characterized by means of an 'order reduction' procedure for multiple summing multilinear operators, which becomes the keystone of our arguments and can be considered our main result. We work in a tensor product framework involving traced tensor norms and the representation theorem for maximal operator ideals. Several applications are given not only to multi-ideals, but also to linear operator ideals. In particular, we get applications to multiple p-summing bilinear operators, (p, q)-factorable linear operators, tau(p)-summing linear operators and absolutely p-summing li…

Multilinear mapAlgebra and Number Theory010102 general mathematicsTensor norm010103 numerical & computational mathematicsSpectral theoremSumming operatorOperator theoryMultiple summing operator01 natural sciencesFourier integral operatorQuasinormal operatorAlgebraLinear mapMultilinear operatorTensor product0101 mathematicsMATEMATICA APLICADAOperator normtau(p)-Summing operatorMathematics
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Equivalence of the Pecka–Ponec Correlation Probability and the Statistical F Significance for MLR Models

2004

In an article of this journal Pecka and Ponec [J. Math. Chem. 27 (2000) 13] have proposed, by means of a probability calculation, a method to evaluate the statistical importance of correlations obtained from multilinear regression equations involving an arbitrary number of experimental points and parameters. Here, it is demonstrated how this probability exactly coincides with a more general concept: the confidence probability of an F distribution having the appropriate degrees of freedom.

Multilinear mapApplied MathematicsMathematical statisticsGeneral ChemistryF-distributionsymbols.namesakeJoint probability distributionStatisticssymbolsProbability mass functionProbability distributionApplied mathematicsRandom variableMathematicsProbability measureJournal of Mathematical Chemistry
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Predictability and prediction of lowest observed adverse effect levels in a structurally heterogeneous set of chemicals

2005

A database of chronic lowest observed adverse effect levels (LOAELs) for 234 compounds, previously compiled from different sources (Toxicology Letters79, 131-143 (1995)), was modelled using graph theoretical descriptors. This study reveals that data are not homogeneous. Only those data originating from the U.S. Environmental Protection Agency (EPA) reports could be well modelled by multilinear regression (MLR) and linear discriminant analysis (LDA). In contrast, data available from the specific procedures of the National Toxicology Program (NTP) database introduced noise and did not render good models either alone, or in combination with the EPA data.

Multilinear mapComputer scienceLinear modelReproducibility of ResultsContrast (statistics)BioengineeringGeneral MedicineModels TheoreticalLinear discriminant analysiscomputer.software_genreRegressionLowest-observed-adverse-effect levelSet (abstract data type)Structure-Activity RelationshipDrug DiscoveryStatisticsLinear ModelsAnimalsMolecular MedicineData miningOrganic ChemicalsPredictabilityToxicity Tests ChroniccomputerSAR and QSAR in Environmental Research
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Cocharacters of Bilinear Mappings and Graded Matrices

2012

Let Mk(F) be the algebra of k ×k matrices over a field F of characteristic 0. If G is any group, we endow Mk(F) with the elementary grading induced by the k-tuple (1,...,1,g) where g ∈ G, g2 ≠ 1. Then the graded identities of Mk(F) depending only on variables of homogeneous degree g and g − 1 are obtained by a natural translation of the identities of bilinear mappings (see Bahturin and Drensky, Linear Algebra Appl 369:95–112, 2003). Here we study such identities by means of the representation theory of the symmetric group. We act with two copies of the symmetric group on a space of multilinear graded polynomials of homogeneous degree g and g − 1 and we find an explicit decomposition of the …

Multilinear mapDegree (graph theory)Group (mathematics)General MathematicsField (mathematics)Polynomial identitySpace (mathematics)CocharacterCombinatoricsGradingRepresentation theory of the symmetric groupSymmetric groupLinear algebraMathematicsAlgebras and Representation Theory
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Cyclic response of masonry infilled RC frames: Experimental results and simplified modeling

2014

The recent large interest in nonlinear seismic analysis methods, static and dynamic, has required proper strategies of modeling based on reliable, and at the same time easy to use, constitutive laws for the structural elements. Regarding the behavior of framed structures, special attention has to be devoted to infills because of the key role they play in modifying overall stiffness, strength and ductility under seismic excitation. Pointing out the attention on this topic the paper discusses a criteria for modeling the structural behavior of infills based on a macromodeling approach, that is to say on the substitution of infills with diagonal pin jointed struts. Is here shown how multilinear…

Multilinear mapEngineeringInfilled framesMasonry infillsbusiness.industryInfilled frames; Masonry infills; Cyclic behavior; Pivot hysteretic model; Equivalent strut.DiagonalSoil ScienceStiffnessStructural engineeringInfilled frames Masonry infills Cyclic behavior Pivot hysteretic model Equivalent strut.MasonryGeotechnical Engineering and Engineering GeologyFinite element methodSeismic analysisCyclic behaviorSettore ICAR/09 - Tecnica Delle CostruzioniNonlinear systemmedicineEquivalent strutPivot hysteretic modelmedicine.symptombusinessDuctilityCivil and Structural Engineering
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Centralizers and Multilinear Polynomials in Non-Commutative Rings

1979

Multilinear mapPure mathematicsGeneral MathematicsCommutative ringMathematicsJournal of the London Mathematical Society
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Closed injective ideals of multilinear operators, related measures and interpolation

2020

[EN] We introduce and discuss several ways of extending the inner measure arisen from the closed injective hull of an ideal of linear operators to the multilinear case. In particular, we consider new measures that allow to characterize the operators that belong to a closed injective ideal of multilinear operators as those having measure equal to zero. Some interpolation formulas for these measures, and consequently interpolation results involving ideals of multilinear operators, are established. Examples and applications related to summing multilinear operators are also shown.

Multilinear mapPure mathematicsIdeal (set theory)Ideal of multilinear operatorsGeneral MathematicsZero (complex analysis)Measure associated to an idealMeasure (mathematics)Injective functionInterpolationClosed idealInjective idealInner measureInjective hullMATEMATICA APLICADAInterpolationMathematics
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