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Search results for: Binary QSAR models
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Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
PublicationThe solubility of active pharmaceutical ingredients is a mandatory physicochemical characteristic in pharmaceutical practice. However, the number of potential solvents and their mixtures prevents direct measurements of all possible combinations for finding environmentally friendly, operational and cost-effective solubilizers. That is why support from theoretical screening seems to be valuable. Here, a collection of acetaminophen...
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Rothe’s method for physiologically structured models with diffusion
PublicationWe consider structured population models with diffusion and dynamic boundary conditions. The respective approximation, called Rothe’s method, produces positive and exponentially bounded solutions. Its solutions converge to the exact solution of the original PDE.
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Integrate-and-fire models with an almost periodic input function
PublicationWe investigate leaky integrate-and-fire models (LIF models for short) driven by Stepanov and μ-almost periodic functions. Special attention is paid to the properties of the firing map and its displacement, which give information about the spiking behavior of the considered system. We provide conditions under which such maps are well-defined and are uniformly continuous. We show that the LIF models with Stepanov almost periodic...
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Identification of models and signals robust to occasional outliers
PublicationIn this paper estimation algorithms derived in the sense of the least sum of absolute errors are considered for the purpose of identification of models and signals. In particular, off-line and approximate on-line estimation schemes discussed in the work are aimed at both assessing the coefficients of discrete-time stationary models and tracking the evolution of time-variant characteristics of monitored signals. What is interesting,...
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Identification of models and signals robust to occasional outliers
PublicationIn this paper estimation algorithms derived in the sense of the least sum of absolute errors are considered for the purpose of identification of models and signals. In particular, off-line and approximate on-line estimation schemes discussed in the work are aimed at both assessing the coefficients of discrete-time stationary models and tracking the evolution of time-variant characteristics of monitored signals. What is interesting,...
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Dynamic Bankruptcy Prediction Models for European Enterprises
PublicationThis manuscript is devoted to the issue of forecasting corporate bankruptcy. Determining a firm’s bankruptcy risk is one of the most interesting topics for investors and decision-makers. The aim of the paper is to develop and to evaluate dynamic bankruptcy prediction models for European enterprises. To conduct this objective, four forecasting models are developed with the use of four different methods—fuzzy sets, recurrent and...
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4D Models in World Wide Web
PublicationThe paper presents some results of research curried out within the framework of the European project named "Cultural Heritage Through Time" (CHT2). One of the main project aims were to develop a methodology for sharing multi-temporal information via the Internet (webGIS) for remote analysis of structures and landscapes over time. Reported in this paper results are focused on testing two technologies (Hexagon and Esri) for online...
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High-speed binary-to-residue converter with the reduced input layer
Publicationprzedstawiono architekturę szybkiego konwertera z systemu binarnego do systemu resztowego dla modułów 5-bitowych. Algorytm konwersji oparty jest na dodawaniu binarnym reszt potęg liczby 2 obliczonych modulo m i redukcji modulo m sumy dla poszczególnych modułów bazy systemu resztowego. Warstwa wejciowa konwertera jest redukowana poprzez wykorzystanie wspólnych elementów układu dla odpowiednio zestawionych par modułów.
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High-speed residue-to-binary converter based on the Chinese RemainderTheorem.
PublicationPrzedstawiono szybki konwerter z systemu resztowego do systemu binarnego dla modułów 5-bitowych oparty o chińskie twierdzenie o resztach. Projekcje ortogonalne są generowane przy użyciu odwzorowania realizowanego przy zastosowaniu funkcji logicznych pięciu zmiennych. Wartość wyjściowa jest obliczana przy użyciu drzewaWallace'a z segmentacją wektorów wyjściowych i redukcją do 2M, M zakres liczbowy systemu oraz efektywny finalny...
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Towards New Mappings between Emotion Representation Models
PublicationThere are several models for representing emotions in affect-aware applications, and available emotion recognition solutions provide results using diverse emotion models. As multimodal fusion is beneficial in terms of both accuracy and reliability of emotion recognition, one of the challenges is mapping between the models of affect representation. This paper addresses this issue by: proposing a procedure to elaborate new mappings,...
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Uniform Model Interface for Assurance Case Integration with System Models
PublicationAssurance cases are developed and maintained in parallel with corresponding system models and therefore need to reference each other. Managing the correctness and consistency of interrelated safety argument and system models is essential for system dependability and is a nontrivial task. The model interface presented in this paper enables a uniform process of establishing and managing assurance case references to various types...
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The shape of an ROC curve in the evaluation of credit scoring models
PublicationThe AUC, i.e. the area under the receiver operating characteristic (ROC) curve, or its scaled version, the Gini coefficient, are the standard measures of the discriminatory power of credit scoring. Using binormal ROC curve models, we show how the shape of the curves affects the economic benefits of using scoring models with the same AUC. Based on the results, we propose that the shape parameter of the fitted ROC curve is reported...
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Aleksandra Parteka dr hab. inż.
PeopleAbout me: I am an associate professor and head of doctoral studies at the Faculty of Management and Economics, Gdansk University of Technology (GdanskTech, Poland). I got my MSc degree in Economics from Gdansk University of Technology (2003) and Universita’ Politecnica delle Marche (2005), as well as MA degree in Contemporary European Studies from Sussex University (2006, with distinction). I received my PhD in Economics...
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Models of using the Internet by young Poles and their social capital.
PublicationHighlights • Study examining Polish youth on internet usage styles. • Online communication is the most common form of spending time on the Internet. •...
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Assessment of Wide-Sense Stationarity of an Underwater Acoustic Channel Based on a Pseudo-Random Binary Sequence Probe Signal
PublicationThe performances of Underwater Acoustic Communication (UAC) systems are strongly related to the specific propagation conditions of the underwater channel. Designing the physical layer of a reliable data transmission system requires a knowledge of channel characteristics in terms of the specific parameters of the stochastic model. The Wide-Sense Stationary Uncorrelated Scattering (WSSUS) assumption simplifies the stochastic description...
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Evaluation of Lombard Speech Models in the Context of Speech in Noise Enhancement
PublicationThe Lombard effect is one of the most well-known effects of noise on speech production. Speech with the Lombard effect is more easily recognizable in noisy environments than normal natural speech. Our previous investigations showed that speech synthesis models might retain Lombard-effect characteristics. In this study, we investigate several speech models, such as harmonic, source-filter, and sinusoidal, applied to Lombard speech...
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Looking for Social Enterprise Models in Poland: institutional and historical context
PublicationThe paper is an attempt at identification of key social enterprise models in Poland. The authors recognize three models: entrepreneurial non-profit organizations, cooperatives as well as social integration clubs and centres. Their social and institutional background is presented together with institutional trajectories of social enterprise development.
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Fuzzy Methods and Models for a Team-Building Process
PublicationThis chapter contains an introduction to fuzzy-logic model-based approaches for a team-building process. Such appraches allow extending typical recruiting practice and selection processes to enable a wider and more precise assessment of a new team and/or existing team members, taking into account both their hard and soft skills. Moreover, as effectiveness of teams depends on the interpersonal skills and emotional intelligence...
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The Comparison of the Web GIS Applications Relevant for 4D Models Sharing
PublicationThe paper presents results of the project: Cultural Heritage Through Time (CHT 2, http://cht2-project.eu) realized accomplished within the framework of the “Joint Programming Initiative in Cultural Heritage” JPI-CH (http://www.jpi-culturalheritage.eu) by an international consortium: Politecnico di Milano (IT), Newcastle University (UK), Salamanca University (ES), and Stanislaw Staszic Scientific Association SSSA (a non-profit...
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublicationMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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A Hyperdense Semantic Domain for Discontinuous Behavior in Physical System Models
PublicationMultiple time models have been proposed for the formalization of hybrid dynamic system behavior. The superdense notion of time is a well-known time model for describing event-based systems where several events can occur simultaneously. Hyperreals provide a domain for defining the semantics of hybrid models that is elegantly aligned with first principles in physics. This paper discusses the value of both time models and shows how...
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Investigating COVID-19 active pharmaceutical ingredients (APIs) degradation using Peroxydisulfate/FeMnOx binary metal oxide/Ultrasound System
PublicationDegradation of Favipiravir using a hybrid system of peroxydisulfate, FeMnOx binary metal oxide, and ultrasound irradiation was studied. A novel catalyst was synthesized with deep eutectic solvent (DES). The effects of DES type on catalytic performance was evaluated and the catalysts were characterized using XRD, SEM, BET, XPS, and EDS. DES-based catalysts exhibited higher efficiency due to structure change, surface area enhancement...
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Training of Deep Learning Models Using Synthetic Datasets
PublicationIn order to solve increasingly complex problems, the complexity of Deep Neural Networks also needs to be constantly increased, and therefore training such networks requires more and more data. Unfortunately, obtaining such massive real world training data to optimize neural networks parameters is a challenging and time-consuming task. To solve this problem, we propose an easy-touse and general approach to training deep learning...
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Online brand communities’ contribution to digital business models
PublicationAbstract Purpose – There is limited research examining social drivers and mediators of online brand community identification in the context of business models development. This study aims to identify them behind the social mechanisms and present essential factors which should be applied in business models to foster value co-creation. Design/methodology/approach – Data were collected from a convenience sample of 712 cases gathered among...
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Injury Prediction Models for Onshore Road Network Development
PublicationIntegrating different modes of transport (road, rail, air and water) is important for port cities. To accommodate this need, new transport hubs must be built such as airports or sea ports. If ports are to grow, they must be accessible, a feature which is best achieved by building new roads, including fast roads. Poland must develop a network of fast roads that will provide good access to ports. What is equally important is to upgrade...
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Formation of Enormously Strongly Bound Anionic Clusters Predicted in Binary Superacids
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Tribological performance of PTFE-metal binary coatings in rolling/sliding contact
PublicationTribological performance of surface coatings with embedded PTFE reservoirs in rolling/sliding contact is reported. Using two different coating materials and two shapes and patterns of PTFE reservoirs test samples in the form of discs were prepared and tested in a four-ball contact configuration under loads corresponding to nominal contact pressure of 0.5 and 1.0 GPa. It was found that one coating, namely aluminium-bronze with embedded...
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Spin-glass behavior in a binary Pr 3 Ir intermetallic compound
PublicationPolycrystalline Pr3Ir was synthesized by arc melting. Its cementite-type crystal structure (Pnma) was confirmed by powder X-ray diffraction and estimated lattice parameters are in agreement with literature. Physical properties were measured by means of the ac and dc magnetic susceptibility, electrical resistivity and heat capacity. Our results indicate spin-glass behavior in Pr3Ir with a freezing temperature Tf = 6.58 K and activation...
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Comparative analysis of different numerical models of a steel radial gate
PublicationHydrotechnical structures are important components in water management system and general flooding safety. Their reliability should be ensured since potential damage might lead to catastrophic consequences. Weir gates are considered to be highly vulnerable elements of each hydro power plant, with regard to its dynamic resistance. The aim of the paper is to compare different numerical models and their influence on the results of...
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Local hidden–variable models for entangled quantum states
PublicationWhile entanglement and violation of Bell inequalities were initially thought to be equivalent quantum phenomena, we now have different examples of entangled states whose correlations can be described by local hidden-variable models and, therefore, do not violate any of the Bell inequalities. We provide an up-to-date overview of the existing literature regarding local hidden-variable models for entangled quantum states, in both...
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Numerical simulation of asphalt mixtures fracture using continuum models
PublicationThe paper considers numerical models of fracture processes of semi-circular asphalt mixture specimens subjected to three-point bending. Parameter calibration of the asphalt mixture constitutive models requires advanced, complex experimental test procedures. The highly non-homogeneous material is numerically modelled by a quasicontinuum model. The computational parameters are averaged data of the components, i.e. asphalt, aggregate...
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Review of ship safety domains: Models and applications
PublicationShip safety domain is a term which is widely used in research on collision avoidance and traffic engineering among others. Classic ship domains have been compared in multiple reports. However, up till now there has been no work summing up contemporary research in this field. The paper offers a systematic and critical review of the newer ship domain models and related research. It discusses multiple differences in approach to ship...
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Equivalent single-layer models in deformation analysis of laminated multilayered plates
PublicationThe performance of selected Equivalent Single-Layer (ESL) models is evaluated within several classical benchmark tests for linear static analysis of multi-layered plates. The authors elaborated their own Finite Element software based on the first-order shear deformation theory (FOSD) with some modifications incorporated including a correction of the transverse shear stiffness and an application of zig-zag type functions. Seven...
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Polymodal Method of Improving the Quality of Photogrammetric Images and Models
PublicationPhotogrammetry using unmanned aerial vehicles has become very popular and is already commonly used. The most frequent photogrammetry products are an orthoimage, digital terrain model and a 3D object model. When executing measurement flights, it may happen that there are unsuitable lighting conditions, and the flight itself is fast and not very stable. As a result, noise and blur appear on the images, and the images themselves can...
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Naturally-derived hydrogels for 3D pancreatic tumor models: A short review
PublicationStatistics suggest a high proportion of mortality rate by pancreatic cancer, which is a solid tumor characterized by high heterogeneity and the presence of a complex extracellular matrix. The very low effectiveness of pancreatic cancer treatment roots in the high metastatic potential and drug resistance of this tumor. Therefore, the quest for efficient cellular models enabling precise mimicking in vivo conditions, and anticancer...
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Fermi-liquid behavior of binary intermetallic compounds Y3 M (M = Co, Ni, Rh, Pd, Ir, Pt)
PublicationA series of polycrystalline samples of Y3 M (M = Co, Ni, Rh, Pd, Ir, Pt), intermetallic binary compounds were synthesized by the arc-melting method. Powder x-ray diffraction (pXRD) confirmed the orthorhombic cementite-type crystal structure and allowed for the estimation of the lattice parameters. Physical properties were investigated by means of electrical resistivity and heat capacity measurements between 1.9 K and 300 K. All...
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Genotoxicity of selected pharmaceuticals, their binary mixtures, and varying environmental conditions – study with human adenocarcinoma cancer HT29 cell line
PublicationPharmaceutical residues are present in the environment in mixtures and their adverse effects may also result from interactions that occur between compounds. Studies presented in this work focus on genotoxicity of pharmaceuticals from different therapeutic groups in mixtures and in individual solutions impacted with different environmental conditions assessed using comet assay (alkaline approach). Binary mixtures of pharmaceuticals...
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Justyna Signerska-Rynkowska dr inż.
PeopleI am currently an assistant professor (adjunct) at Gdansk University of Technology (Department of Differential Equations and Mathematics Applications). My scientific interests include dynamical systems theory, chaos theory and their applications to modeling of biological phenomena, especially to neurosciences. In June 2013 I completed PhD in Mathematics at the Institute of Mathematics of Polish Academy of Sciences (IMPAN) (thesis...
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Drug Discovery Today: Disease Models
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APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY
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MATHEMATICAL MODELS & METHODS IN APPLIED SCIENCES
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Improvement of Task Management with Process Models in Small and Medium Software Companies
PublicationSmall and medium software companies exhibit many special features that give reason for a dedicated approach to process improvement. They often cannot afford implementing maturity models or quality standards both in terms of time and money. Instead, they expect simpler solutions that can allow to run projects in more systematic and repeatable way, increase quality and knowledge management. In this paper, we present a method focused...
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Selected Propagation Models Modification for Application in Container Terminal
PublicationIt is particularly important to look for any propagation model that could be useful for designing mobile radio systems in container terminal environment. The selected propagation models have been investigated. The applied research methodology has been described too. Results of the statistical adjustment in terms of signal loss determination in such environment have been analysed. The analysis have proved effectiveness of adjustment...
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Application of human bile salts for in vitro digestion models
PublicationIn this study, experimental in vitro models simulating the environment of the human gastrointestinal tract were used to assess the impact of physiological surfactants, such as bile salts, on the kinetics of digestion. Bile salts are biosurfactants synthesised in the liver and secreted together with bile into the small intestine. There are many reports on the role of bile salts in lipolysis, but the knowledge of their influence...
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The first International Comparative Social Enterprise Models Working Paper: Poland
PublicationIn this paper, social enterprise models: entrepreneurial nonprofit organizations, cooperatives and vocational enterprises for the disabled are presented. Their emergence and institutionalization in the Polish social enterprise organizations landscape is provided and analysed. Also, the authors point to the convergences and divergences between these three models. Additionally historical background and institutional trajectories...
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Trawl-Door Shape Optimization with 3D CFD Models and Local Surrogates
PublicationDesign and optimization of trawl-doors are key factors in minimizing the fuel consumption of fishing vessels. This paper discusses optimization of the trawl-door shapes using high-fidelity 3D computational fluid dynamic (CFD) models. The accurate 3D CFD models are computationally expensive and, therefore, the direct use of traditional optimization algorithms, which often require a large number of evaluations, may be prohibitive....
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Shaking table experimental study on models of steel buildings with different types of joints
PublicationThe aim of this paper is to study the response of models of steel buildings with destroyed and non-destroyed joints. The study was conducted experimentally using the shaking table tests. Two steel models were considered. Several types of joints were taken into account: totally destroyed joints, partially destroyed joints, welded joints and joints stiffened with additional metal. Six ground motions were taken into account. The acceleration...
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Source code - AI models (MLM1-5 - series I-III - QNM opt)
Open Research DataSource code - AI models (MLM1-5 - series I-III - QNM opt) for the paper "Computational Complexity and Its Influence on Concrete Compressive Strength Prediction Capabilities of Machine Learning Models for Concrete Mix Design Support" accepted for publication.
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Comparison of Traffic Flow Models with Real Traffic Data Based on a Quantitative Assessment
PublicationThe fundamental relationship of traffic flow and bivariate relations between speed and flow, speed and density, and flow and density are of great importance in transportation engineering. Fundamental relationship models may be applied to assess and forecast traffic conditions at uninterrupted traffic flow facilities. The objective of the article was to analyze and compare existing models of the fundamental relationship. To that...
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Thermophysical study of the binary mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide – Experimental and theoretical approach
PublicationDensities at (293.15, 298.15, 303.15 and 308.15) K, and viscosities and ultrasonic velocities at 298.15 K of binary liquid mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide have been measured over the entire range of composition at p = 0.1 MPa. From the experimental data, values of excess molar volume, excess isentropic compressibility, viscosity deviation and excess Gibbs energy...