Search results for "Linear Interpolation"

tomocomd-camps and protein bilinear indices - novel bio-macromolecular descriptors for protein research: I. Predicting protein stability effects of a…

2010

Descriptors calculated from a specific representation scheme encode only one part of the chemical information. For this reason, there is a need to construct novel graphical representations of proteins and novel protein descriptors that can provide new information about the structure of proteins. Here, a new set of protein descriptors based on computation of bilinear maps is presented. This novel approach to biomacromolecular design is relevant for QSPR studies on proteins. Protein bilinear indices are calculated from the kth power of nonstochastic and stochastic graph–theoretic electronic-contact matrices, and , respectively. That is to say, the kth nonstochastic and stochastic protein bili…

Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening

2014

Two-dimensional bond-based bilinear indices and linear discriminant analysis are used in this report to perform a quantitative structure-activity relationship study to identify new trypanosomicidal compounds. A data set of 440 organic chemicals, 143 with antitrypanosomal activity and 297 having other clinical uses, is used to develop the theoretical models. Two discriminant models, computed using bond-based bilinear indices, are developed and both show accuracies higher than 86% for training and test sets. The stochastic model correctly indentifies nine out of eleven compounds of a set of organic chemicals obtained from our synthetic collaborators. The in vitro antitrypanosomal activity of …

Second-order tensorial calibration for kinetic spectrophotometric determination

1996

Abstract Kinetic-diode array spectrophotometric detection, as well as other multichannel techniques when used in non-equilibrium conditions, constitute second-order instrumentation. The second-order response provided will be bilinear, under certain conditions even trilinear, thus allowing the use of the generalized rank annihilation method (GRAM) and the trilinear decomposition method (TLD). Both numerically simulated and experimental data were used to evaluate the performance of these calibration techniques. The conditions in which the ‘second-order advantage’ (the possibility of quantifying the analytes in the presence of unknown reactions or interferences) is preserved were investigated.…

A bilinear version of Orlicz–Pettis theorem

2008

Abstract Given three Banach spaces X, Y and Z and a bounded bilinear map B : X × Y → Z , a sequence x = ( x n ) n ⊆ X is called B -absolutely summable if ∑ n = 1 ∞ ‖ B ( x n , y ) ‖ Z is finite for any y ∈ Y . Connections of this space with l weak 1 ( X ) are presented. A sequence x = ( x n ) n ⊆ X is called B -unconditionally summable if ∑ n = 1 ∞ | 〈 B ( x n , y ) , z ∗ 〉 | is finite for any y ∈ Y and z ∗ ∈ Z ∗ and for any M ⊆ N there exists x M ∈ X for which ∑ n ∈ M 〈 B ( x n , y ) , z ∗ 〉 = 〈 B ( x M , y ) , z ∗ 〉 for all y ∈ Y and z ∗ ∈ Z ∗ . A bilinear version of Orlicz–Pettis theorem is given in this setting and some applications are presented.

Discovery of novel trichomonacidals using LDA-driven QSAR models and bond-based bilinear indices as molecular descriptors

2008

Few years ago, the World Health Organization estimated the number of adults with trichomoniasis at 170 million worldwide, more than the combined numbers for gonorrhea, syphilis, and chlamydia. To combat this sexually transmitted disease, Metronidazole (MTZ) has emerged, since 1959, as a powerful drug for the systematic treatment of infected patients. However, increasing resistance to MTZ, adverse effects associated to high-dose MTZ therapies and very expensive conventional technologies related to the development of new trichomonacidals necessitate novel computational methods that shorten the drug discovery pipeline. Therefore, bond-based bilinear indices, new 2-D bond-based TOMOCOMD-CARDD M…

Statistical Learning for End-to-End Simulations

2018

End-to-end mission performance simulators (E2ES) are suitable tools to accelerate satellite mission development from concet to deployment. One core element of these E2ES is the generation of synthetic scenes that are observed by the various instruments of an Earth Observation mission. The generation of these scenes rely on Radiative Transfer Models (RTM) for the simulation of light interaction with the Earth surface and atmosphere. However, the execution of advanced RTMs is impractical due to their large computation burden. Classical interpolation and statistical emulation methods of pre-computed Look-Up Tables (LUT) are therefore common practice to generate synthetic scenes in a reasonable…

An exponential spline interpolation for unequally spaced data points

1982

Uniform convergence and asymptotic confidence bands for model-assisted estimators of the mean of sampled functional data

2013

When the study variable is functional and storage capacities are limited or transmission costs are high, selecting with survey sampling techniques a small fraction of the observations is an interesting alternative to signal compression techniques, particularly when the goal is the estimation of simple quantities such as means or totals. We extend, in this functional framework, model-assisted estimators with linear regression models that can take account of auxiliary variables whose totals over the population are known. We first show, under weak hypotheses on the sampling design and the regularity of the trajectories, that the estimator of the mean function as well as its variance estimator …

Steady-state dynamic response of various hysteretic systems endowed with fractional derivative elements

2019

In this paper, the steady-state dynamic response of hysteretic oscillators comprising fractional derivative elements and subjected to harmonic excitation is examined. Notably, this problem may arise in several circumstances, as for instance, when structures which inherently exhibit hysteretic behavior are supplemented with dampers or isolators often modeled by employing fractional terms. The amplitude of the steady-state response is determined analytically by using an equivalent linearization approach. The procedure yields an equivalent linear system with stiffness and damping coefficients which are related to the amplitude of the response, but also, to the order of the fractional derivativ…

p-VARIATION OF VECTOR MEASURES WITH RESPECT TO BILINEAR MAPS

2008

AbstractWe introduce the spaces Vℬp(X) (respectively 𝒱ℬp(X)) of the vector measures ℱ:Σ→X of bounded (p,ℬ)-variation (respectively of bounded (p,ℬ)-semivariation) with respect to a bounded bilinear map ℬ:X×Y →Z and show that the spaces Lℬp(X) consisting of functions which are p-integrable with respect to ℬ, defined in by Blasco and Calabuig [‘Vector-valued functions integrable with respect to bilinear maps’, Taiwanese Math. J. to appear], are isometrically embedded in Vℬp(X). We characterize 𝒱ℬp(X) in terms of bilinear maps from Lp′×Y into Z and Vℬp(X) as a subspace of operators from Lp′(Z*) into Y*. Also we define the notion of cone absolutely summing bilinear maps in order to describe t…