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Search results for: Binary QSAR models
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Biological Activity of Compounds Exhibiting Local Anesthetics's Properties Evaluated by QSAR Approach
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Activity evaluation of some psychoactive drugs with the application of QSAR/QSPR modeling methods
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QSAR Analysis of Selected Antimicrobial Structures Belonging to Nitro-derivatives of Heterocyclic Compounds
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Bees Detection on Images: Study of Different Color Models for Neural Networks
PublicationThis paper presents an approach to bee detection in video streams using a neural network classifier. We describe the motivation for our research and the methodology of data acquisition. The main contribution to this work is a comparison of different color models used as an input format for a feedforward convolutional architecture applied to bee detection. The detection process has is based on a neural binary classifier that classifies...
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Constant-Factor Approximation Algorithm for Binary Search in Trees with Monotonic Query Times
PublicationWe consider a generalization of binary search in linear orders to the domain of weighted trees. The goal is to design an adaptive search strategy whose aim is to locate an unknown target vertex of a given tree. Each query to a vertex v incurs a non-negative cost ω(v) (that can be interpreted as the duration of the query) and returns a feedback that either v is the target or the edge incident to v is given that is on the path towards...
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Development and evaluation of thermosensitive hydrogels with binary mixture of Scutellariae baicalensis radix extract and chitosan for periodontal diseases treatment.
PublicationScutellaria baicalensis root displays anti-inflammatory and antibacterial properties due to the presence of flavonoids, particularly baicalin, baicalein, and wogonin. Our work aimed at developing thermosensitive hydrogels containing a binary mixture of S. baicalensis radix lyophilized extract and chitosan as a novel approach for periodontal diseases treatment....
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Physical models in the education of architectural history
PublicationIn this article, the authors present the long tradition and common use of physical models in the process of teaching the history of architecture in higher education institutions. The research described in the article is focused on the use of physical models and mock-ups as stimulants during architectural history classes to support lectures and increase the learning capabilities of students. The authors also cover the general use...
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Sophistication assessment of existing FEM models of orbital blowout trauma: Is models valuation justified?
PublicationAfter a thorough study of the work entitled “Development and validation of an optimized finite element model of the human orbit”, some doubts aroused concerning the sophistication assessment of the existing finite element method (FEM) models of orbital blow-out. Although the work was unquestionably innovative, and the results were not only fascinating but also invaluable, the authors stated that their model was the most sophisticated...
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Paweł Możejko dr hab.
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Non-standard binary weighted number systems
PublicationZdefiniowano szeroką klasę binarnych systemów wagowych. Wszystkie sa wzajemnie jednoznaczne ale mogą być zupełne lub niezupełne. Jeżeli wagi systemu są kolejnymi liczbami naturalnymi to system jest minimalny.Jesli wagi sa kolejnymi potęgami podstawy Z to system jest maksymalny. W przestrzeni między tymi systemami znajdują się inne systemy binarne. Kilka z nich przedstawiono w referacie.
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High-speed memoryless binary/residue converter
PublicationW pracy zaprezentowano nowy szybki konwerter z systemu binarnego do systemu resztowego dla liczb o zakresie do 60 bitów. W konwerterze stosowane są wyłącznie układy kombinacyjne. Algorytm konwertera oparty jest na dodawaniu niezerowych cyfr binarnych reprezentacji kolejnych potęg 2 modulo m. Dodawanie jest realizowane przy użyciu wielooperandowego sumatora CSA oraz sumatora CPA. Suma wyjściowa CPA jest redukowana do zakresu 2m-1...
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Blood–brain barrier permeability mechanisms in view of quantitative structure–activity relationships (QSAR)
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COMPARISON OF INFINITE ELEMENT MODELS
PublicationThe main objective of this paper is to show the comparison of two models of infinite ab- sorbing layer with increasing damping in numerical investigations of elastic wave prop- agation in unbounded structures. This has been achieved by the Authors by a careful in- vestigation of two different engineering structures characterised by gradually increasing geometrical and mathematical description complexities. The analysis included...
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Towards bees detection on images: study of different color models for neural networks
PublicationThis paper presents an approach to bee detection in videostreams using a neural network classifier. We describe the motivationfor our research and the methodology of data acquisition. The maincontribution to this work is a comparison of different color models usedas an input format for a feedforward convolutional architecture appliedto bee detection. The detection process has is based on a neural...
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Non-monotone graph searching models
PublicationGraph searching encompasses a variety of different models, many of which share a property that in optimal strategies fugitive can never access once searched regions. Monotonicity, as it is called, is vital in many established results in the field however its absence significantly impedes the analysis of a given problem. This survey attempts to gather non-monotone models, that are less researched in effort of summarizing the results...
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Architectural Heritage Virtual Models in Conservation Practice
PublicationThe article presents the issues concerning architectural heritage digital models’ applications in conservation practice. These considerations are discussed in the context of the commencement of creating virtual models regarding no-longer existing historical buildings in the first half of the 1980s. Such models’ applications and possible uses are analyzed within the adopted criteria that distinguish the following model types....
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Reversible Data Hiding in Encrypted DICOM Images Using Cyclic Binary Golay (23, 12) Code
PublicationIn this paper, a novel reversible data hiding method for encrypted images (RDHEI) is proposed. An efficient coding scheme based on cyclic binary Golay (23, 12) code is designed to embed additional data into the least significant bits (LSBs) of the encrypted image. The most significant bits (MSBs) are used to ensure the reversibility of the embedding process. The proposed scheme is lossless, and based on the receiver’s privileges,...
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Melody Harmonization with Interpolated Probabilistic Models
PublicationMost melody harmonization systems use the generative hidden Markov model (HMM), which model the relation between the hidden chords and the observed melody. Relations to other variables, such as the tonality or the metric structure, are handled by training multiple HMMs or are ignored. In this paper, we propose a discriminative means of combining multiple probabilistic models of various musical variables by means of model interpolation....
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Characterization of antimicrobial and hemolytic properties of short synthetic cationic lipopeptides based on QSAR/QSTR approach
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Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
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The study of salting-out thin-layer chromatography and their application on QSRR/QSAR of some macrolide antibiotics
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Toward Nano‐Specific In Silico NAMs: How to Adjust Nano‐QSAR to the Recent Advancements of Nanotoxicology?
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Thermodynamics and Intermolecular Interactions of Nicotinamide in Neat and Binary Solutions: Experimental Measurements and COSMO-RS Concentration Dependent Reactions Investigations
PublicationIn this study, the temperature-dependent solubility of nicotinamide (niacin) was measured in six neat solvents and five aqueous-organic binary mixtures (methanol, 1,4-dioxane, acetonitrile, DMSO and DMF). It was discovered that the selected set of organic solvents offer all sorts of solvent effects, including co-solvent, synergistic, and anti-solvent features, enabling flexible tuning of niacin solubility. In addition, differential...
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Advanced Mathematical Models and Applications
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Animal Models and Experimental Medicine
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Advances in Continuous and Discrete Models
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High-speed fpga pipelined binary-to-residue converter
Publicationw pracy przedstawiono architekturę przepływowego konwertera z systemu z uzupełnieniem do 2 z systemu binarnego. zastosowano segmentację słowa wejściowego ze wstępną inwersją dla liczb ujemnych. reszty liczb reprezentowanych przez poszczególne segmenty są obliczane poprzez odczyt z pamięci adresowanej binarną reprezentacją segmentu. otrzymane reszty sumowane są w wielooperandowym sumatorze modulo z korekcją reszty dla liczb ujemnych.pracę...
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FPGA realization of the high-speed binary-to-residue converter
Publicationprzedstawiono architekturę i realizację w technologii fpga konwertera z systemu binarnego do systemu resztowego. algorytm konwertera oparty jest na podziale słowa wejściowego na segmenty 4-bitowe i następnie obliczeniu reszty liczby reprezentowanej przez dany segment, sumowaniu binarnym przy zastosowaniu csa i redukcji modulo w układzie dwuoperandowego sumatora modulo.
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Matching Split Distance for Unrooted Binary Phylogenetic Trees
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Matching Split Distance for Unrooted Binary Phylogenetic Trees
PublicationRekonstrukcja drzew ewolucji jest jednym z głównych celów w bioinformatyce. Drzewa filogenetyczne reprezentuje historię ewolucji i związki pokrewieństwa między różnymi gatunkami. W pracy proponujemy nową ogólną metodę określania odległości między nieukorzenionymi drzewami filogenetycznymi, szczególnie użyteczną dla dużych zbiorów gatunków. Następnie podajemy szczegółowe własności jednej metryki określonej przy użyciu tej metody...
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High-speed binary-to-residue converter with improved architecture.
PublicationPrzedstawiono ulepszoną architekturę szybkiego konwertera liczb z systemu binarnego do systemu resztowego dla liczb ze znakiem w kodzie U2. Algorytm konwertera oparty jest o segmentację słowa wejsciowego nasegmenty 4-bitowe. Reszty liczb reprezentowanych przez segmenty sąobliczane poprzez odwzorowanie. Wielooperandowe sumowanie modulo jest realizowane przy użyciu drzewa Wallace'a z segmentacją wektorów wyjściowych oraz finalnego...
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Effective residue-to-binary converter with the Chinese Remainder Theorem
PublicationKonwersja liczb z systemu resztowego do systemu binarnego jest podstawową operacją we wszystkich układach cyfrowego przetwarzania sygnałów, które wykorzystują system resztowy. W niniejszej pracy zaproponowano nową metodę konwersji opartą o chińskie twierdzenie o resztach dla modułów 5- i 6-bitowych. Specyficzną cechą nowej metody jest sposób obliczania tzw. współczynnika nadmiaru w formule chińskiego twierdzenia o resztach, co...
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Elementary, binary and schlesinger transformations in differential ring geometry
PublicationPrzedstawiono elementarne przekształcenia Darboux dla rozwiązania równań różniczkowych w pierścieniu. Przedstawiono nowe rozwiązania za pomocą przekształcenia Shlesingera jako granicy elementarnego pD.
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Crystal growth and properties of a binary intermetallic ZrBi2 compound
PublicationSingle crystals of ZrBi2 were grown by a self-flux method. The material adopts TiAs2 structure type with lattice parameters: a = 10.233(4) Å, b = 15.581(2) Å, c = 3.994(5) Å. Crystals of ZrBi2 were studied by means of magnetic susceptiblity, specific heat and resistivity measurements. The compound reveals a metallic-like behavior (RRR = 30). The Sommerfeld coefficient equals γ = 1.59(16) mJ mol-1 K-2 and Debye temperature ΘD =...
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Derivation of Executable Test Models From Embedded System Models using Model Driven Architecture Artefacts - Automotive Domain
PublicationThe approach towards system engineering compliant to Model-Driven Architecture (MDA) implies an increased need for research on the automation of the model-based test generation. This applies especially to embedded real-time system development where safety critical requirements must be met by a system. The following paper presents a methodology to derive basic Simulink test models from Simulink system models so as to execute them...
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Symbolic multibody models for digital-twin applications
PublicationSymbolic generation of multibody systems equations of motion appeared in the 1980s. In addition to their computational advantage over their numerical counterparts, symbolic models can be very easily and straightforwardly interfaced with a wide range of software environments and hardware devices. These two features place this approach in a pole position to participate and intervene in the design of digital twins for systems such...
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Differential models versus neural models in optimisation
PublicationW pracy porównano zastosowanie modeli różniczkowych i modeli neuronowych dla celów optymalizacji.
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Flow Process Models for Pipeline Diagnosis
PublicationThis chapter examines the problem of modeling and parameterization of the transmission pipeline flow process. First, the base model for discrete time is presented, which is a reference for other developed models. Then, the diagonal approximation (AMDA) method is proposed, in which the tridiagonal sub-matrices of the recombination matrix are approximated by their diagonal counterparts, which allows for a simple determination of...
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COMPARISON OF TWO MODELS OF CONDENSATION
PublicationIn the low-pressure part of steam turbine, the state path usually crosses the saturation line in penultimate stages. At least last two stages of this part of turbines operate in two –phase region. The liquid phase in this region in mainly created in the process of homogeneous and heterogeneous condensation. Several observations confirm however, that condensation often occurs earlier than it is predicted by theory i.e. before the...
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A Review of Hyperelastic Constitutive Models for Dielectric Elastomers
PublicationDielectric elastomers are smart materials that are essential components in soft systems and structures. The core element of a dielectric elastomer is soft matter, which is mainly rubber-like and elastomeric. These soft materials show a nonlinear behaviour and have a nonlinear strain-stress curve. The best candidates for modelling the nonlinear behaviour of such materials are hyperelastic strain energy functions. Hyperelastic functions...
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A review on analytical models of brushless permanent magnet machines
PublicationThis study provides an in-depth investigation of the use of analytical and numerical methods in analyzing electrical machines. Although numerical models such as the finite-element method (FEM) can handle complex geometries and saturation effects, they have significant computational burdens, are time-consuming, and are inflexible when it comes to changing machine geometries or input values. Analytical models based on magnetic equivalent...
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Diagnostic Models and Estimators for LDI in Transmission Pipelines
PublicationThis article considers and compares four analytical models of the pipeline flow process for leak detection and location tasks. The synthesis of these models is briefly outlined. Next, the methodology for generating data and diagnosing pipes is described, as well as experimental settings, assumptions and implemented scenarios. Finally, the quality of model-based diagnostic estimators has been evaluated for their bias, standard deviations...
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The role of traditional architectural models in the first stages of education.
PublicationThe oldest architectural models discovered by scientists date from the Middle Ages, while models or 1:1 scale prototypes were used in ancient times. Architectural miniatures quickly evolved into an indispensable tool for designers that enabled them to creatively express their thoughts and ideas. Mock-ups became a way of helping a designer communicate a concept, and their educational value was also recognised. The method of modelling,...
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Mathematical Models in Design Process of Ship Bow Thrusters
PublicationThe paper describes an application of simulation models for computer-aided design of ship bow thrusters. Generation of simulation models of ship bow thruster requires development and verifying of mathematical models of system component elements. Using the results of simulation the expert system is able to determine, that the rules of classification societies are met. Design procedures and mathematical models are part of an expert...
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Mathematical Models in Design Process of Ship Bow Thrusters
PublicationThe presentation is about an application of simulation models for computer-aided design of ship bow thrusters. Generation of simulation models of ship bow thruster requires development and verifying of mathematical models of system component elements. Using the results of simulation the expert system is able to determine, that the rules of classification societies are met. Design procedures and mathematical models are part of an...
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Overview of new product development strategies and models
PublicationMotivation: The motivation for the overview presented in this article is to provide a starting point for considering whether existing new product development methodology and its level of detail allows product teams to develop high-quality and business-effective product concepts. Aim: The aim of this article is recognise the current state of research into new product development methodology and to present the strategies and models...
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QSAR, QSPR and QSRR in Terms of 3-D-MoRSE Descriptors for In Silico Screening of Clofibric Acid Analogues
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Modeling of medium flow processes in transportation pipelines - the synthesis of their state-space models and the analysis of the mathematical properties of the models for leak detection purposes
PublicationThe dissertation concerns the issue of modeling the pipeline flow process under incompressible and isothermal conditions, with a target application to the leak detection and isolation systems. First, an introduction to the model-based process diagnostics is provided, where its basic terminology, tools, and methods are described. In the following chapter, a review of the state of the art in the field of leak detection and isolation...
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Intelligent Decision Forest Models for Customer Churn Prediction
PublicationCustomer churn is a critical issue impacting enterprises and organizations, particularly in the emerging and highly competitive telecommunications industry. It is important to researchers and industry analysts interested in projecting customer behavior to separate churn from non‐churn consumers. The fundamental incentive is a firm’s intent desire to keep current consumers, along with the exorbitant expense of gaining new ones....
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Comparative testing of numerical models of river ice jams
PublicationIce processes in general, and ice jams in particular, play a dominant role in the hydrologic regime of Canadian rivers, often causing extreme floods and affecting the life cycle of many aquatic, terrestrial, and avian species. Various numerical models have been developed to help simulate the formation and consequences of these very dynamic and often destructive jam events. To test and compare the performance of existing models,...