Wyniki wyszukiwania dla: Binary QSAR models - MOST Wiedzy

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Wyniki wyszukiwania dla: Binary QSAR models

Wyniki wyszukiwania dla: Binary QSAR models

  • New technologies and diffusion of innovative financial products: Evidence on exchange-traded funds in selected emerging and developed economies

    Exchange-traded funds (ETFs) are one of the most rapidly-expanding categories of innovative financial products that have been introduced on many financial markets, in both emerging and developed economies. Our research contributes to the present state of knowledge by examining factors, including information and communication technologies (ICTs), influencing the diffusion of ETFs. In our research, we consider also the impact of...

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  • ARIMA vs LSTM on NASDAQ stock exchange data

    Publikacja

    - Procedia Computer Science - Rok 2022

    This study compares the results of two completely different models: statistical one (ARIMA) and deep learning one (LSTM) based on a chosen set of NASDAQ data. Both models are used to predict daily or monthly average prices of chosen companies listed on the NASDAQ stock exchange. Research shows which model performs better in terms of the chosen input data, parameters and number of features. The chosen models were compared using...

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  • Robust and Efficient Machine Learning Algorithms for Visual Recognition

    Publikacja

    - Rok 2022

    In visual recognition, the task is to identify and localize all objects of interest in the input image. With the ubiquitous presence of visual data in modern days, the role of object recognition algorithms is becoming more significant than ever and ranges from autonomous driving to computer-aided diagnosis in medicine. Current models for visual recognition are dominated by models based on Convolutional Neural Networks (CNNs), which...

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  • A SHORT REVIEW OF BLOOD FLOW MODELLING METHODS: FROM MACRO- TO MICROSCALES

    The aim of this paper it to review various scale approaches to the blood flow modelling. Blood motion may be described by three types of mathematical models according to the observed scales or resolutions, namely microscopic, mesoscopic and macroscopic descriptions. The above approaches are discussed together with their advantages and disadvantages. Several results of mesoscopic simulations are presented with particular attention...

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  • Some Introductory and Historical Remarks on Mechanics of Microstructured Materials

    Publikacja

    - Rok 2018

    Here we present few remarks on the development of the models of microstuctured media and the generalized continua.

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  • Experimental and numerical analysis of wave propagation in ground anchors

    Publikacja

    - Rok 2016

    The article focuses on wave propagation phenomenon in ground anchors. The main aim of the investigation is the non-destructive diagnostics and the assessment of the state of ground anchors, using the guided wave propagation method. Laboratory models of anchors with different lengths of the anchor body were tested and voltage signals of propagating waves were registered at several locations. For all tested specimens corresponding...

  • Scheduling of compatible jobs on parallel machines

    Publikacja

    - Rok 2021

    The dissertation discusses the problems of scheduling compatible jobs on parallel machines. Some jobs are incompatible, which is modeled as a binary relation on the set of jobs; the relation is often modeled by an incompatibility graph. We consider two models of machines. The first model, more emphasized in the thesis, is a classical model of scheduling, where each machine does one job at time. The second one is a model of p-batching...

  • Methodology for Processing of 3D Multibeam Sonar Big Data for Comparative Navigation

    Publikacja

    - Remote Sensing - Rok 2019

    Autonomous navigation is an important task for unmanned vehicles operating both on the surface and underwater. A sophisticated solution for autonomous non-global navigational satellite system navigation is comparative (terrain reference) navigation. We present a method for fast processing of 3D multibeam sonar data to make depth area comparable with depth areas from bathymetric electronic navigational charts as source maps during...

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  • Aravind Ayyolath

    Osoby

    I am interested in the biology of bacterial stress response and its growth under stress conditions. Our lab focuses on two aspects; protein folding and lipopolysaccharide biosynthesis and we address them with Escherichia coli models. Our recent studies have provided more evidence regarding several genes involved in the survival of bacteria under stress. I am also interested in disease biology and also in identifying proper therapeutic...

  • Desirability-based optimization of dual-fuel diesel engine using acetylene as an alternative fuel

    Publikacja
    • V. G. Nguyen
    • D. Brijesh
    • A. Chhillar
    • S. Prabhakar
    • M. S. Osman
    • D. T. Nguyen
    • J. Kowalski
    • H. T. Truong
    • P. S. Yadav
    • D. N. Cao
    • V. D. Tran

    - Case Studies in Thermal Engineering - Rok 2024

    he study examined the dual-fuel engine performance employing acetylene gas as primary fuel and diesel as pilot fuel. The engine's operational parameters were adjusted using the Box-Behnken design, and the results were recorded. The best operating settings were yielded as 81.25 % engine load, 4.48 lpm acetylene gas flow rate and the compression ratio were 18. At this optimized setting the BTE was 27.1 % and the engine emitted 360...

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  • Improving performance of large thrust bearings through modeling and experimentation

    Large thrust bearings are highly loaded machine elements and their failures cause serious losses. Start ups and stoppages of the bearing under load are specially critical regimes of operation. Load carrying capacity depends on the profile of the oil gap. In transient states this profile is also changing. In the design of large thrust bearings minimizing thermo-elastic deformations is an important goal, which can be accomplished...

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  • High-Resolution Discharge Forecasting for Snowmelt and Rainfall Mixed Events

    Publikacja

    Discharge events induced by mixture of snowmelt and rainfall are strongly nonlinear due to consequences of rain-on-snow phenomena and snowmelt dependence on energy balance. However, they received relatively little attention, especially in high-resolution discharge forecasting. In this study, we use Random Forests models for 24 h discharge forecasting in 1 h resolution in a 105.9 km 2 urbanized catchment in NE Poland: Biala River....

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  • On dynamics of origami-inspired rod

    Publikacja

    We discuss the dynamics of a relatively simple origami-inspired structure considering discrete and continuum models. The latter was derived as a certain limit of the discrete model. Here we analyze small in-plane deformations and related equations of infinitesimal motions. For both models, dispersion relations were derived and compared. The comparison of the dispersion relations showed that the continuum model can capture the behavior...

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  • Simulation model for assessment of IMS-based NGN call processing performance

    Publikacja

    In current telecommunications it is assumed that demands of information society for quickly delivered services will be satisfied by Next Generation Network (NGN) architecture, which includes IP Multimedia Subsystem (IMS) elements. To guarantee Quality of Service (QoS), proper design and dimensioning of NGN is absolutely necessary, for which appropriate models have to be proposed. As NGN architecture is very complicated, the most...

  • Message Inter-Arrival and Inter-Departure Time Distributions in IMS/NGN Architecture

    Publikacja

    - Rok 2012

    Currently is it assumed that requirements of the information society for delivering multimedia services will be satisfied by the Next Generation Network (NGN) architecture, which includes elements of the IP Multimedia Subsystem (IMS) solution. In order to guarantee Quality of Service (QoS), NGN has to be appropriately designed and dimensioned. Therefore, proper traffic models should be proposed and applied. This requires determination...

  • Modeling and Strength Calculations of Parts Made Using 3D Printing Technology and Mounted in a Custom-Made Lower Limb Exoskeleton

    Publikacja
    • S. Śpiewak
    • W. Wojnicz
    • J. Awrejcewicz
    • M. Mazur
    • M. Ludwicki
    • B. Stańczyk
    • B. Zagrodny

    - Materials - Rok 2024

    This study is focused on the application of 3D-printed elements and conventional elements to create a prototype of a custom-made exoskeleton for lower limb rehabilitation. The 3D-printed elements were produced by using Fused Deposition Modeling technology and acrylonitrile butadiene styrene (ABS) material. The scope of this work involved the design and construction of an exoskeleton, experimental testing of the ABS material and...

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  • Simulation model of IMS/NGN call processing performance

    In current telecommunications it is assumed that demands of the information society for quickly delivered services will be satisfied by the Next Generation Network (NGN) architecture, which includes IP Multimedia Subsystem (IMS) elements. To guarantee Quality of Service (QoS), proper design and dimensioning of NGN is absolutely necessary, for which appropriate models have to be proposed. As the NGN architecture is very complicated,...

  • Problems of modelling toxic compounds emitted by a marine internal combustion engine in unsteady states

    Contemporary engine tests are performed based on the theory of experiment. The available versions of programmes used for analysing experimental data make frequent use of the multiple regression model, which enables examining effects and interactions between input model parameters and a single output variable. The use of multi-equation models provides more freedom in analysing the measured results, as those models enable simultaneous...

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  • Timber frame houses resistant to dynamic loads - seismic analysis

    The aim of the article is to present results of seismic analysis results of two real-sized timber frame buildings subjected to seismic excitations. The first model was insulated with mineral wool, the second one with polyurethane foam. Technology and specifications involved in both models construction is based on the previously conducted experimental research on timber frame houses, including wall panels tests, wall numerical models...

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  • Numerical Study of Concrete Mesostructure Effect on Lamb Wave Propagation

    Publikacja

    - Materials - Rok 2020

    The article presents the results of the numerical investigation of Lamb wave propagation in concrete plates while taking into account the complex concrete mesostructure. Several concrete models with randomly distributed aggregates were generated with the use of the Monte Carlo method. The influence of aggregate ratio and particle size on dispersion curves representing Lamb wave modes was analyzed. The results obtained for heterogeneous...

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  • The role of numerical tests in assessing road restraint system functionality

    Key to understanding the needs and building road infrastructure management tools to prevent and mitigate run-off-road accidents is to identify hazards and their sources which are a result of wrong design, construction, and installation of road restraint systems. Building such tools requires advanced studies with field tests, simulations and models to demonstrate the effects of selected parameters on road user safety. The research...

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  • The effect of polyamide PA12 and polyester PBT blocks' lengths on the structure and propertries of multiblock terpoly(amide-block-ester-block-amide) (TPAEA)

    Publikacja

    - Polimery - Rok 2007

    The ternary multiblock system terpoly(amide-b-ester-b-amide) (TPAEA) of the chemical structure: poly[(oligoamide-6.36)-block-(tetramethylene terephthalate)-block-laurolactam)] -(PA6.36-b-PBT-b-PA12)n- has been obtained (Table 1). In this system the third component (PBT block here), characterized with the proper molecular weight, is dissolved in hard phase of PA12 blocks and partially dissolved in soft phase of PA6.36. The effects...

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  • Modulo N Backoff Scheme for effective QoS differentiation and increased bandwidth utilization in IEEE 802.11 networks

    Publikacja

    The paper presents a new "modulo N" channel access scheme for wireless Local Area Networks (WLANs). The novel solution derives from the Distributed Coordination Function (DCF) of the IEEE 802.11 standard, further elaborated as Enhanced Distribution Channel Access (EDCA) by the 802.11e draft specification. The main innovation concerns improvement of the binary exponential backoff scheme used for collision avoidance in 802.11 networks....

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  • Usefulness of chest perfusion computed tomography in the diagnosis of diabetic pulmonary microangiopathy

    This paper presents the usefulness of perfusion computed tomography (pCT) in the diagnosis of diabetic pulmonary microangiopathy. Our previous works have shown that perfusion parameters are useful in the diagnosis of diabetic pulmonary microangiopathy. We are looking for such measurements and perfusion parameters that provide the most accurate diagnosis. Two types of comparison were made based on the results of clinical trials:...

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  • Visual TreeCmp : Comprehensive Comparison of Phylogenetic Trees on the Web

    Publikacja

    1. We present Visual TreeCmp—a package of applications for comparing phylogenetic tree sets. 2. Visual TreeCmp includes a graphical web interface allowing the visualization of compared trees and command line application extended by comparison methods recently proposed in the literature. 3. The phylogenetic tree similarity analysis in Visual TreeCmp can be performed using eighteen metrics, of which 11 are dedicated to rooted trees...

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  • Dissociative ionization dynamics of dielectric gas C3F7CN

    Publikacja
    • M. Ranković
    • J. Chalabala
    • M. Zawadzki
    • J. Kočišek
    • P. Slavíček
    • J. Fedor

    - PHYSICAL CHEMISTRY CHEMICAL PHYSICS - Rok 2019

    Fluoronitrile C3F7CN is a promising candidate for the replacement of SF6 dielectric gas in high-voltage insulation. We present a combined experimental and theoretical study on its ionization dynamics probed in the 0-100 eV energy range. We exploited the total ion collection technique to determine the absolute ionization cross section, mass spectrometry to determine the fragment branching ratios and ab initio nonadiabatic molecular...

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  • Effect of cobalt addition on the corrosion behaviorof near equiatomic NiTi shape memory alloy in normal saline solution: electrochemical and XPS studies

    Publikacja

    - RSC Advances - Rok 2018

    The electrochemical and corrosion (uniform and localized) behavior of a binary Ni52Ti48 shape memory alloy (SMA) and two ternary Ni52Ti48-xCox (x = 1.5 and 4.0 wt.%) SMAs were studied. Measurements were conducted in 0.9% NaCl solution at 37 oC employing various electrochemical methods. These include: linear polarization resistance (LPR), linear sweep voltammetry (LSV), chronoamperometry and dynamic electrochemical impedance spectroscopy...

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  • Simulation of perovskite-based CuI/CH3NH3PbI3/TiO2 solar cell performance

    Dane Badawcze
    open access

    The presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/TiO2 model structure (Model 1) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/). 

  • Simulation of perovskite-based CuI/CH3NH3PbI3/SnO2 solar cell performance

    Dane Badawcze
    open access

    The presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/SnO2 model structure (Model 2) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/). 

  • Simulation of perovskite-based CuI/CH3NH3PbI3/ZnO solar cell performance

    Dane Badawcze
    open access

    The presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/ZnO model structure (Model 3) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/). 

  • The effect of road restraint systems on the level of road safety - Polish experience

    Publikacja

    Roadside accidents happen when a vehicle runs off the road. The majority of these accidents are very severe because leaving the road is usually followed by hitting a solid obstacle (tree, pole, support, culvert front wall, barrier). Roadsides are some of the most important issues of road safety. They have been studied for years to identify roadside hazards and the effectiveness of road safety measures such as restraint systems....

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  • Quality of service in optical burst switched networks

    In the paper analytical models of two service differentiation schemes for optical burst switched network: extended offset time based and PPS (Preemptive Priority Scheme) are revised. Also accordance of analytical models for those schemes is studied when complete class isolation is assumed. Furthermore authors introduce an analytical model which describes an effective degree of isolation when burst switched network employs both...

  • Quality of service in optical burst switched networks

    Publikacja

    In the paper analytical models of two service differentiation schemes for optical burst switched network: extended offset time based and PPS (Preemptive Priority Scheme) are revised. Also accordance of analytical models for those schemes is studied when complete class isolation is assumed. Furthermore authors introduce an analytical model which describes an effective degree of isolation when burst switched network employs both...

  • EXPERIMENTS AND SIMULATIONS FOR LAPAROSCOPICVENTRAL HERNIA REPAIR IMPROVEMENT

    The authors conducted a wide experimental and numerical study in order to determine effective approaches in the laparoscopic VH repair. At first the study covered identification of mechanical properties of the abdominal fascia, implants, tacks and transabdominalsutures. Basis on these data, the one and two-dimensional mathematical models were formulated and a number of numerical static and dynamic analyses were carried out. Then...

  • New Tool for Examining QoS in the VToIP Service

    Publikacja

    This paper is dedicated to the subject of measuring QoS in the Video Telephony over IP (VToIP) service. QoS measurement models in general and then models designed specifically for measuring QoS in the VToIP service are presented. A new numerical tool for examining the quality of VToIP video streams VToIP is described. The tool’s functionality is then put to the test in a number of analysis scenarios. The results and insights gained...

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  • On–line Parameter and Delay Estimation of Continuous–Time Dynamic Systems

    The problem of on-line identification of non-stationary delay systems is considered. The dynamics of supervised industrial processes are usually modeled by ordinary differential equations. Discrete-time mechanizations of continuous-time process models are implemented with the use of dedicated finite-horizon integrating filters. Least-squares and instrumental variable procedures mechanized in recursive forms are applied for simultaneous...

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  • Path Loss Modelling in the Untypical Outdoor Propagation Environments

    Publikacja

    In the paper three ways of path loss modelling in the untypical outdoor environments are presented. The exemplary untypical outdoor environment is analyzed. The investigated environment is characterized, and the measurement campaign are shortly described. The following models have been analyzed: the COST231 Walfisch-Ikegami model, the modified COST231Walfisch-Ikegami model tuned on the basis of empirical data, and the empirical...

  • Modele numeryczne uwzględniające tarczową pracę pokrycia dachowego z blach trapezowych

    W artykule porównano wybrane sposoby uwzględniania w modelowaniu numerycznym tarczowej pracy pokrycia dachowego z blachy trapezowej, możliwe do zrealizowania w programie Autodesk Robot Structural Analysis Professional 2015, w celu oceny słuszności stosowania ich do obliczeń konstrukcji nośnej współpracującej z poszyciem z blachy trapezowej. Analizy przeprowadzono dla pojedynczej przepony. Za pomocą powłokowych elementów skończonych...

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  • Data-driven, probabilistic model for attainable speed for ships approaching Gdańsk harbour

    Publikacja

    The growing demand for maritime transportation leads to increased traffic in ports. From this arises the need to observe the consequences of the specific speed ships reach when approaching seaports. However, usually the analyzed cases refer only to the statistical evaluation of the studied phenomenon or to the empirical modelling, ignoring the mutual influence of variables such as ship type, length or weather conditions. In this...

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  • Modeling of entrained flow steam gasification of sewage sludge

    Publikacja
    • J. Mularski
    • K. Stasiak
    • M. Ostrycharczyk
    • M. Czerep
    • M. Wnukowski
    • K. Krochmalny
    • M. Baranowski
    • P. Ziółkowski
    • M. Kowal
    • Ł. Niedźwiecki... i 2 innych

    - Rok 2023

    Proper management of sewage sludge becomes increasingly problematic due to legal requirements aiming at diminishing environmental impact, as well as rationalizing the utilization from the point of view of logistics. Steam gasification of sewage sludge can result in very good quality of the producer gas. So far, the works have been focused on the gasification in fixed bed gasifiers. However, this does not allow to take full advantage...

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  • Dynamic Bayesian Networks for Symbolic Polyphonic Pitch Modeling

    Publikacja

    Symbolic pitch modeling is a way of incorporating knowledge about relations between pitches into the process of an- alyzing musical information or signals. In this paper, we propose a family of probabilistic symbolic polyphonic pitch models, which account for both the “horizontal” and the “vertical” pitch struc- ture. These models are formulated as linear or log-linear interpo- lations of up to fi ve sub-models, each of which is...

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  • Modelling the time-dependent behaviour of soft soils

    Time-dependence of soft soils has already been thoroughly investigated. The knowledge on creep and relaxation phenomena is generally available in the literature. However, it is still rarely applied in practice. Regarding the organic soils, geotechnical engineers mostly base their calculations on the simple assumptions. Yet, as presented within this paper, the rate-dependent behaviour of soft soils is a very special and important...

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  • Ocean mixed layer dynamics: high-resolution simulations of wind, wave and convective effects

    Dane Badawcze
    open access

    This dataset contains results of high-resolution numerical simulations of the ocean mixed layer (OML) forced by wind, waves and cooling from the atmosphere, i.e., under strongly turbulent, convective conditions. The goal is to provide detailed, three-dimensional information about OML circulation, turbulent kinetic energy, and temperature and salinity...

  • Application of fracture mechanics for energetic effects predictions while wood sawing

    Publikacja

    - Rok 2011

    In the classical approach, energetic effects (cutting forces and cutting power) of wood sawing process are generally calculated on the basis of the specific cutting resistance, which is in the case of wood cutting the function of more or less important factors. On the other hand, cutting forces (power) could be considered from a point of view of modern fracture mechanics. Cutting forces may be employed to determine not only toughness...

  • Dobór parametrów silnika indukcyjnego dużej mocy

    W artykule przedstawiono trzy typy statycznych modeli matematycznych silników klatkowych oraz metodę estymacji parametrów, przy wykorzystaniu algorytmów genetycznych. Korzystając z kryteriów: suma kwadratów, suma wartości bez-względnych oraz całkowego, oceniono przydatność badanych modeli. Opracowane modele matematyczne zostały wykorzystane przy doborze algorytmów sterownia sterów strumieniowych. Po-kazano metodykę doboru parametrów...

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  • Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment

    Publikacja
    • A. Kryshtafovych
    • J. Moult
    • W. M. Billings
    • D. Della Corte
    • K. Fidelis
    • S. Kwon
    • K. Olechnovič
    • C. Seok
    • Č. Venclovas
    • J. Won... i 79 innych

    - PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS - Rok 2021

    Critical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on...

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  • Approximation of Message Inter-Arrival and Inter-Departure Time Distributions in IMS/NGN Architecture Using Phase-Type Distributions

    Currently it is assumed that requirements of the information society for delivering multimedia services will be satisfied by the Next Generation Network (NGN) architecture, which includes elements of the IP Multimedia Subsystem (IMS) solution. In order to guarantee Quality of Service (QoS), NGN has to be appropriately designed and dimensioned. Therefore, proper traffic models should be proposed and applied. This requires determination...

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  • ADT in mammography

    Publikacja

    We discuss limitations of the known methods of IR imaging in diagnostics of breast cancer. In conclusion we show that for practical reasons one requires new approaches because the known methods based on simple observation of external temperature distribution are not fully effective. Even advanced pattern recognition could not help too much for static images. We ask the question: may active dynamic thermography, known in nondestructive...

  • CAD. Introduction (2024/25)

    Kursy Online
    • D. Cyparski

    This course introduces students to the application of Computer-Aided Design (CAD) in creating architectural drawings and project presentations. No prior CAD experience is required. Through hands-on exercises, students will learn to create engaging project presentations using 2D drawings and 3D models created in AutoDesk AutoCAD and other industry-standard software.  

  • Numerical solution analysis of fractional point kinetics and heat exchange in nuclear reactor

    The paper presents the neutron point kinetics and heat exchange models for the nuclear reactor. The models consist of a nonlinear system of fractional ordinary differential and algebraic equations. Two numerical algorithms are used to solve them. The first algorithm is application of discrete Grünwald-Letnikov definition of the fractional derivative in the model. The second involves building an analog scheme in the FOMCON Toolbox...

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