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Search results for: VIRTUAL SCREENING
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Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
PublicationBackground. Solubility is a fundamental physicochemical property of active pharmaceutical ingredients. The optimization of a dissolution medium aims not only to increase solubility and other aspects are to be included such as environmental impact, toxicity degree, availability, and costs. Obtaining comprehensive...
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Hybrid Fuzzy-Ontological Project Framework of a Team Work Simulation System
PublicationThe aim of this article is to present the project framework for constructing a Software Process Simulation Modeling (SPSM) system. SPSM systems can be used as a virtual environment for the selection of methods and tools of project management in IT support organizations. The constructed system simulates the Scrum methodology, including the management processes and the project roles. For the implementation of Scrum processes, the...
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INFLUENCE OF A VERTEX REMOVING ON THE CONNECTED DOMINATION NUMBER – APPLICATION TO AD-HOC WIRELESS NETWORKS
PublicationA minimum connected dominating set (MCDS) can be used as virtual backbone in ad-hoc wireless networks for efficient routing and broadcasting tasks. To find the MCDS is an NP- complete problem even in unit disk graphs. Many suboptimal algorithms are reported in the literature to find the MCDS using local information instead to use global network knowledge, achieving an important reduction in complexity. Since a wireless network...
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Compressible gas density measurement by means of Fourier analysis of interferograms
PublicationThis paper describes a method for nonintrusive compressible gas density measurement by means of automated analysis of interferograms using FFT (Fast Fourier Transform), and its implementation using DFT (Discrete Fourier Transform), that does make this measurement technique a fairly valuable and accessible experimental method. The presented approach makes it possible to use the finite fringe setting of the interferometer, thus reducing...
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The Usefulness of Cyclic Diamidines with Different Core-substituents as Antitumor Agents
PublicationA series of related polycationic compds. has been screened for potential antitumor activity by the NCI's in vitro testing (one dose primary anticancer assay and the NCI-60 full panel screening). The GI50 values of triazines 3 and 4 are on av. 1.9 μM and 2.4 μM, resp. Furan 8 deserves mention too (1.9 μM). The biol. test results showed that carbazole 10 possessed cytotoxic activity in the nanomolar range, much better than...
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Machine Learning and Electronic Noses for Medical Diagnostics
PublicationThe need for noninvasive, easy-to-use, and inexpensive methods for point-of-care diagnostics of a variety of ailments motivates researchers to develop methods for analyzing complex biological samples, in particular human breath, that could aid in screening and early diagnosis. There are hopes that electronic noses, that is, devices based on arrays of semiselective or nonselective chemical sensors, can fill this niche. Electronic...
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Determination of aminoglycoside antibiotics: current status and future trends
PublicationThe use of aminoglycoside antibiotics is prevalent in medicine and agriculture. Their overuse increases their mobility in the environment, resulting in a need for reliable methods for their determination in a variety of matrices. However, the properties of aminoglycosides, in particular their high polarity, make the development of such methods a non-trivial task, inciting researchers to tackle this complex issue from different...
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Efficient optimization approaches for microwave assisted extraction of high-quality antioxidant compounds from Salvia officinalis L.: UHPLC-HRMS differential analysis of phenolic profiles obtained by ultrasound and microwave extraction
PublicationThe study aims to optimize MAE of total phenolic compounds (TPC) and antioxidant capacity from Salvia officinalis L. leaves using a definitive screening design (DSD) and I-optimal design. UHPLC-HRMS analysis was used to identify and compare the composition of MAE and UAE optimal extracts. The results showed that DSD and I-optimal design were successfully applied for the optimization of MAE targeting phenolics and other antioxidants...
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Sensors in River Information Services of the Odra River in Poland: Current State and Planned Extension
PublicationAccording to adopted in 2016 by the polish Council of Ministers assumptions for the plans for the progress of inland waterways in Poland for the years 2016-2020, with the perspective of 2030, assume that by 2030 Odra along its entire length and the Vistula from Warsaw to Gdansk, they will have become international shipping routes, which will be implemented system of River Information Services (RIS). Aspects of RIS sensor application...
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Shipping Safety Management on Polish Inland Waterways
PublicationOver the past years, the role of inland waterway transport has increased compared to other modes of transport. The increasing intensity of the inland vessel traffic significantly affects the safety of navigation. The article analyses the main causes of accidents and incidents that occurred on the Odra Waterway and Lower Vistula. The authors have classified those accidents and suggested possible directions for the development of...
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Infographics in Educational Settings: A Literature Review
PublicationInfographics are visual representations of data that utilize various graphic elements, including pie charts, bar graphs, line graphs, and histograms. Educators and designers can maximize the potential of infographics as powerful educational tools by carefully addressing challenges and capitalizing on emerging technologies. However, current education systems showcase the need for development guidelines and the best practices targeted...
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Modelling Of Commercial Websites. A New Perspective On Usability And Customer Relation
PublicationFrom an economic point of view, a critical aspect of online services is their ability to retain customers. The aim of presented study was the use of a layered model VIPR (Visual - Interaction - Process - Relation ) for commercial services online. The indicator of trust and establishing lasting relationships were assessment achieved from experienced users of commercial online services (n = 207), obtained by means of Web Credibility...
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A comparative study of English viseme recognition methods and algorithm
PublicationAn elementary visual unit – the viseme is concerned in the paper in the context of preparing the feature vector as a main visual input component of Audio-Visual Speech Recognition systems. The aim of the presented research is a review of various approaches to the problem, the implementation of algorithms proposed in the literature and a comparative research on their effectiveness. In the course of the study an optimal feature vector...
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A comparative study of English viseme recognition methods and algorithms
PublicationAn elementary visual unit – the viseme is concerned in the paper in the context of preparing the feature vector as a main visual input component of Audio-Visual Speech Recognition systems. The aim of the presented research is a review of various approaches to the problem, the implementation of algorithms proposed in the literature and a comparative research on their effectiveness. In the course of the study an optimal feature vector construction...
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An Integrated Approach to an Assessment of Bottlenecks for Navigation on Riverine Waterways
PublicationWater transport, both sea and inland, is the cheapest, least invasive, and safest option for non-standard loads; hence, it is important to increase the percentage share of inland waterway transport on the rivers of Central and Eastern Europe. Transporting cargo is particularly difficult on shallow waterways because rivers overloaded with sediment determine the vertical parameters on inland waterways. A ship’s safe manoeuvrability...
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The Impact of Building Performance Analysis on intuition Development and Decision Making Rationality
PublicationContemporary architectural workshop is characterized by the ability to efficiently collect and process huge amounts of geometric and non-geometric information. Virtual substitutes for buildings and structures allow to analyze various aspects of real life activity at various stages of the design process. The possibility of increased prognostic quantitative data acquisition, such as cost of energy consumption, shifts architectural...
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Establishing intelligent enterprise through community of practice for product innovation
PublicationThis paper presents the idea of implementing the virtual Community of Practice for Product Innovation processes towards the establishment of intelligent enterprise. Since the fourth industrial revolution is passing through the developing phase, implementation of Cyber-Physical Production Systems require more realistic approach. Knowledge Management and Engineering plays an important role in manufacturing industries facing global...
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On modelling and non-linear elasto-plastic analysis of thin shells with deformable junctions
PublicationThe undeformed base surface of the irregular thin shell is modelled by the union of a finite number of regular smooth surface elements joined together along spatial curvilinear surface edges. The equilibrium conditions are formulated by postulating an appropriate form of the principle of virtual work, where also deformability of shell junctions is taken into account. The PVW is then discretised by C1 finite elements and the incremental-iterative...
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Cryptographic Protocols' Performance and Network Layer Security of RSMAD
PublicationW artykule omówiono architekturę bezpieczeństwa warstwy sieciowej Radiowego Systemu Monitorowania i Akwizycji Danych z urządzeń fotoradarowych (w skrócie RSMAD). Bezpieczeństwo w warstwie sieciowej tego systemu jest zapewniane przede wszystkim dzięki wykorzystaniu Virtual Private Network (w skrócie VPN). W tym celu zaimplementowano dwa protokoły IPsec i L2TP.Zastosowane mechanizmy ochrony danych, w tym typy i parametry VPNów zostały...
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Theory and implementation of a virtualisation level Future Internet defence in depth architecture
PublicationAn EU Future Internet Engineering project currently underway in Poland defines three parallel internets (PIs). The emerging IIP system (IIPS, abbreviating the project’s Polish name), has a four-level architecture, with level 2 responsible for creation of virtual resources of the PIs. This paper proposes a three-tier security architecture to address level 2 threats of unauthorised traffic injection and IIPS traffic manipulation...
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Telekomunikacyjna sieć rdzeniowa dla zastosowań specjalnych
PublicationW referacie opisano propozycje architektur telekomunikacyjnych sieci rdzeniowych, które charakteryzują się cechami umożliwiającymi wykorzystanie ich w zastosowaniach specjalnych, np. Straży Granicznej. Przedstawiono ogólną koncepcję sieci rdzeniowych w kontekście Sieci Następnej Generacji (Next Generation Network). Przedstawione architektury sieci IP QoS/sieci rdzeniowych takie jak DiffServ, MPLS, GMPLS, ASON/GMPLS. Zaproponowano...
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Experimental and numerical evaluation of mechanical behaviour of composite structural insulated wall panels under edgewise compression
PublicationA composite structural insulated sandwich panel (CSIP) is a quite novel approach to the idea of sandwich structures. A series of natural-scale experimental test is required each time a change in panel’s geometry is planned and a reliable computational tool is required to precede actual laboratory testing with virtual simulations. An attempt of creating such a tool has been made with use of a commercial FEM code ABAQUS, in order...
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Identifying the Effects of Selected Road and Roadside Parameters on Road Safety Using Geodetic Techniques
PublicationThe paper will present techniques that can be used to obtain data on road alignment and profile including the roadside. In-the-field and simulation studies have helped to develop mathematical models that integrate vehicle position data. The experiments were conducted in a virtual environment using the software ArcGIS that reflects the actual roadside conditions. The site tests were made using a purpose-built device which integrates...
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Lighting conditions in Home Office and occupant’s perception: an international study
PublicationThe global pandemic and physical distancing restrictions are forcing us to rethink how residential buildings are used regarding the visual environment. This paper describes home office lighting conditions within different countries and continents. The aim is to define the current limitations of home offices in providing a resilient visual environment. The work was developed by a team of international experts working together on...
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Methodology and technology for the polymodal allophonic speech transcription
PublicationA method for automatic audiovisual transcription of speech employing: acoustic and visual speech representations is developed. It adopts a combining of audio and visual modalities, which provide a synergy effect in terms of speech recognition accuracy. To establish a robust solution, basic research concerning the relation between the allophonic variation of speech, i.e. the changes in the articulatory setting of speech organs for...
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Methodology and technology for the polymodal allophonic speech transcription
PublicationA method for automatic audiovisual transcription of speech employing: acoustic, electromagnetical articulography and visual speech representations is developed. It adopts a combining of audio and visual modalities, which provide a synergy effect in terms of speech recognition accuracy. To establish a robust solution, basic research concerning the relation between the allophonic variation of speech, i.e., the changes in the articulatory...
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Wykorzystanie programu LabVIEW do wyznaczania współczynników asymetrii prądu i napięcia w sieciach elektroenergetycznych.
PublicationPrzedstawiono sposób obliczania współczynników asymetrii prądu i napiecia w sieciach elektroenergetycznych przy wykorzystaniu programu wirtualnego LabVIEW. W tym celu stworzone programy w postaci diagramów i paneli tworzące przyrząd wirtualny realizujący obliczanie składowych symetrycznych prądów i napięć obwodu trójfazowego oraz współczynnikow asymetrii. Przyrzad wirtual-ny umożliwia wyznaczanie współczynników asymetrii...
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Krajobraz kulturowy Delty Wisły - przekształcać czy zachować ?
PublicationPublikacja traktuje o tym, iż krajobraz jest głównym żródłem informacji o przeszłości i teraźniejszości przestrzeni. Znajomość "znaków" krajobrazowych jest konieczna dla uszanowania dawnych dokonań w gospodarowaniu przestrzenią jak również harmonijnie kontynuować jej kształtowanie w przyszłości.
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Theoretical and Experimental Studies on the Visible Light Activity of TiO2 Modified with Halide-Based Ionic Liquids
PublicationFormation of a surface complex between organic molecules and TiO2 is one of the possible strategies for the development of visible light-induced TiO2 photoactivity. Herein, three ionic liquids (ILs) with the same cation and dierent anions (1-butylpirydynium chloride/bromide/iodide) have been applied for the surface modification of TiO2 and to understand the role of anions in visible light-induced activity of ILs-TiO2 systems. Photocatalytic...
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Applicability of phenolic acids as effective enhancers of cocrystals solubility of methylxanthines
PublicationApplicability of phenolic acids as potential cocrystal formers for methylxanthine derivatives was analyzed both in terms of cocrystallization probabilities and solubility advantage. The cocrystal formation abilities were evaluated using mixing enthalpy estimated within the conductor like screening model for real solvents (COSMO-RS) framework. The solubility improvement of potential cocrystals was estimated by formulation of the...
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Miniaturized passive emission test chamber for in-situ measurement of emissions of organic compounds
PublicationThe results of many different studies have demonstrated unequivocally that the quality of indoor air is often much worse than that of atmospheric air (outdoor). One of the main groups of chemical compounds present in indoor air, with proven harmfulness to health,are volatile organic compounds (VOCs). VOCs present indoor comprise a wide variety of hydrocarbons and hydrocarbons derivatives including aliphatic, aromatics, alkylbenzens,...
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Magnetic superhydrophobic melamine sponges for crude oil removal from water
PublicationThis paper proposes the preparation of a new sorbent material based on melamine sponges (MS) with superhydrophobic, superoleophilic, and magnetic properties. This study involved impregnating the surface of commercially available MS with eco-friendly deep eutectic solvents (DES) and Fe3O4 nanoparticles. The DES selection was based on the screening of 105 eutectic mixtures using COSMO-RS modeling. Other parameters affecting the efficiency...
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Modification of gradient HPLC method for determination of small molecules' affinity to human serum albumin under column safety conditions: Robustness and chemometrics study
PublicationIn the early stages of drug discovery, beyond the biological activity screening, determining the physicochemical properties that affect the distribution of molecules in the human body is an essential step. Plasma protein binding (PPB) is one of the most important investigated endpoints. Nevertheless, the methodology for measuring %PPB is significantly less popular and standardized than other physicochemical properties, like lipophilicity....
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Decisional-DNA Based Smart Production Performance Analysis Model
Publicationn order to allocate resources effectively according to the production plan and to reduce disturbances, a framework for smart production performance analysis is proposed in this article. Decisional DNA based knowledge models of engineering objects, processes and factory are developed within the proposed framework. These models are the virtual representation of manufacturing resources, and with help of Internet of Things, are capable...
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Smart innovation process enhancement using SOEKS and decisional DNA
PublicationProduct innovation always requires a foundation based on both knowledge and experience. The production and innovation process of products is very similar to the evolution process of humans. The genetic information of humans is stored in genes, chromosomes and DNA. Similarly, the information about the products can be stored in a system having virtual genes, chromosomes and decisional DNA (DDNA). The present paper proposes...
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A method to determine the tightening sequence for standing rigging of a mast
PublicationThe article proposes an alternative method to determine the sequence of generation of pre-tension forces in standing rigging of a mast. The proposed approach has been verified on both a virtual simulation experiment and laboratory tests. In this method, the desired tension values are obtained using the influence matrix which allows to calculate the effect of tension change in an individual rope on the tension distribution in the...
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Gesture-based computer control system applied to the interactive whiteboard
PublicationIn the paper the gesture-based computer control system coupled with the dedicated touchless interactive whiteboard is presented. The system engineered enables a user to control any top-most computer application by using one or both hands gestures. First, a review of gesture recognition applications with a focus on methods and algorithms applied is given. Hardware and software solution of the system consisting of a PC, camera, multimedia...
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Gesture-based computer control system applied to the interactive whiteboard
PublicationIn the paper the gesture-based computer control system coupled with the dedicated touchless interactive whiteboard is presented. The system engineered enables a user to control any top-most computer application by using one or both hands gestures. First, a review of gesture recognition applications with a focus on methods and algorithms applied is given. Hardware and software solution of the system consisting of a PC, camera, multimedia...
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Computer animation system based on rough sets and fuzzy logic
PublicationA fuzzy logic inference system was created, based on the analysis of animated motion features. The objective of the system is to facilitate the creation of high quality animation by analyzing personalized styles contained in numerous animations. Sequences portraying a virtual character acting with a differentiating personalized style (natural or exaggerated) and various levels of fluidity were prepared and subjectively evaluated....
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Good practices in requirements, project and risk managment in educational IT projects
PublicationOne can find many learning aids and simulations of physical phenomena on the market - provided as a standalone application or as part of an educational package. However, only a few of them allow for the building of interactive experiments: experiments similar to those that should be conducted in physics laboratories at schools. Gdańsk University of Technology decided to fill this market niche by designing and constructing a set...
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Structural response of existing spatial truss roof construction based on Cosserat rod theory
PublicationPaper presents the application of the Cosserat rod theory and newly developed associated finite elements code as the tools that support in the expert-designing engineering practice. Mechanical principles of the 3D spatially curved rods, dynamics (statics) laws, principle of virtual work are discussed. Corresponding FEM approach with interpolation and accumulation techniques of state variables are shown that enable the formulation...
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Delivery of Ancillary Services in Distribution Power Systems
PublicationOne of the technical and organizational challenges the power system faces in deregulated market conditions is to organize an ancillary services market. The growing share of distributed generation of variable (intermittent) energy sources and a change in the market position of consumers, causes the demand for distributed delivery of ancillary services. For this purpose, it is sought to use the ability of the regulatory measures:...
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Framework for Product Innovation Using SOEKS and Decisional DNA
PublicationProduct innovation always requires a foundation based on both knowledge and experience. The production and innovation process of products is very similar to the evolution process of humans. The genetic information of humans is stored in genes, chromosomes and DNA. Similarly, the information about the products can be stored in a system having virtual genes, chromosomes and decisional DNA. The present paper proposes a framework for...
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THE ARCHİTECTURE AND FASHİON DESİGN – An Examination of the Relationship between Fashion and Architecture Design in light of Technological Advancements
PublicationThe article focuses on the mutual relationship between two seemingly distant fields of art - architecture and fashion design. It describes a common basis for the process of creating art in the approach to both fashion and architecture. The following considerations, which are based on principles of composition, attempt to reach beyond just the form and analyze also context or perception. The article quotes famous creators and depicts...
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E-experiments in physics. Proper business process management, collaborative development process and project management guidance – remedy for avoiding the main IT project’s failure
PublicationOnly a few of learning aids and simulations of physical phenomena allow for building interactive experiments; experiments similar to those that should be conducted in physics laboratories at schools. Group of staff from Gdansk University of Technology decided to fill this market niche by designing and constructing a set of virtual experiments – so called e-experiments. To avoid common problems that a lot of IT products brought...
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A Web-GIS tool for diagnosing spatial orientation of young adults: design and evaluation of Geo-Survey
PublicationSpatial orientation is the effectiveness with which one is able to assess the mutual location of objects relative to a point of reference or a system of coordinates. Traditionally, this ability has been evaluated through field navigation tests, which do not take into account the prevailing influence of free online maps and virtual walks on a person’s interpretation of space. In this context, this study presents a Web-GIS tool designed...
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E-Estonia as a role model? Some general considerations and applicability in France
PublicationEstonia has recently been widely recognised – in the policy circles, academia, as well as the media space – as one of the more advanced nation states when it comes to digital government (and governance) transformation (e.g. Margetts and Naumann, 2017; Heller, 2017). Ever greater attention Estonia attracted with the two most recent digital government initiatives, namely the e-Residency and the virtual data embassy, both first of...
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Metaheurystyki sztucznej inteligencji w wybranych grach komputerowych
PublicationW pracy omówiono trzy metaheurystyki sztucznej inteligencji, które mogą stać się źródłem inspiracji dla projektantów gier komputerowych. Pokazano, w jaki sposób zastosowano algorytm mrówkowy, algorytm genetyczny i algorytm tabu search w grach komputerowych zaprojektowanych przez studentów Politechniki Gdańskiej. W szczególności, odniesiono się do problematyki wyznaczania trajektorii przemieszczających się obiektów...
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Problems of construction projects regarding historic road bridges
PublicationThe paper describe the comparison of different approaches to reconstruction and the problems in the selection of implementation for a historic bridge over the Vistula River in Tczew. A compromise reconstruction is shown, taking technical, historical and aesthetic aspects into account, as well as needs of the local community.
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Vocalic Segments Classification Assisted by Mouth Motion Capture
PublicationVisual features convey important information for automatic speech recognition (ASR), especially in noisy environment. The purpose of this study is to evaluate to what extent visual data (i.e. lip reading) can enhance recognition accuracy in the multi-modal approach. For that purpose motion capture markers were placed on speakers' faces to obtain lips tracking data during speaking. Different parameterizations strategies were tested...