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Search results for: BINUCLEAR COMPLEXES
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Anion–π recognition between [M(CN)6]3− complexes and HAT(CN)6: structural matching and electronic charge density modification
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A DFT/TD DFT study of the structure and spectroscopic properties of 5-methyl-2-(8-quinolinyl)benzoxazole and its complexes with Zn(II) ion
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Solvent influence on the crystal structures of new cadmium tri-tert -butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity
PublicationMonocrystals of dinuclear -1,4-bis(3-aminopropyl)piperazine-4N1,N10:N4,N40-bis[bis(tri-tert-butoxysilanethiolato-S)cadmium(II)], [Cd2(C12H27O3SSi)4(C10-H24N4)] or [Cd2{SSi(OtBu)3}4(-BAPP)], 1, and polynuclear catena-poly[[bis-(tri-tert-butoxysilanethiolato-S)cadmium(II)]--1,4-bis(3-aminopropyl)piperazine-2N10:N40], [Cd(C12H27O3SSi)2(C10H24N4)]n or [Cd{SSi(OtBu)3}2(-BAPP)]n,2, with 1,4-bis(3-aminopropyl)piperazine (BAPP)...
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Synthesis and Structure of Novel Copper(II) Complexes with N,O- or N,N-Donors as Radical Scavengers and a Functional Model of the Active Sites in Metalloenzymes
PublicationToevaluatetheantioxidantactivityofpotentialsyntheticenzymemimetics,wepreparednewfivecopper(II)complexesviaaself‐assemblymethodandnamedthem[Cu(2‐(HOCH2)py)3](ClO4)2(1),[Cu(2‐(HOCH2)py)2(H2O)2]SiF6(2),[Cu2(2‐(HOCH2CH2)py)2(2‐(OCH2CH2)py)2](ClO4)2(3),[Cu(pyBIm)3](BF4)2∙1.5H2O(4)and[Cu(py2C(OH)2)2](ClO4)2(5).ThesyntheticprotocolinvolvedN,O‐ orN,N‐donors:2‐(hydroxymethyl)pyridine(2‐(HOCH2)py),2‐(hydroxyethyl)pyridine(2‐(HOCH2CH2)py),2‐(2‐pyridyl)benzimidazole(pyBIm),di(2‐pyridyl)ke‐tone(py2CO).TheobtainedCu(II)complexeswerefullycharacterisedbyelementalanalysis,FTIR,EPR,UV‐Vis,single‐crystalX‐raydiffractionandHirshfeldsurfaceanalysis.Crystallographicandspectroscopicanalysesconfirmedchromophoresofbothmonomeric({CuN3O3}(1),{CuN2O4}(2),{CuN6}(4),{CuN4O2}(5))anddimericcomplex({CuN2O3}(3)).Mostoftheobtainedspeciespos‐sessedadistortedoctahedralenvironment,exceptdimer3,whichconsistedoftwocoppercentreswithsquarepyramidalgeometries.Thewater‐solublecompounds(1,3and5)wereselectedforbiologicaltesting.Theresultsofthestudyrevealedthatcomplex1insolutionsdisplayedbetterradicalscavengingactivitythancomplexes3,5andfreeligands.Therefore,complex1hasbeenselectedforfurtherstudiestotestitsactivityasanenzymemimetic.Thechosencompoundwastestedontheerythrocytelysateoftwogroupsofpatientsafterundergoingchemotherapyandchemoradiotherapy.Theeffectofthetestedcompound(1)onenzymeactivitylevels(TAS,SODandCAT)suggeststhattheselectedcomplexcanbetreatedasafunctionalmimeticoftheenzymes.
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Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization
PublicationRuthenium(II) complexes are lately of great scientific interest due to their chemotherapeutic potential asanticancer and antimicrobial agents. Here we present the synthesis of new pyrazole carbothioamidederivatives and their four arene–ruthenium complexes. The title compounds were characterized with theapplication of IR, NMR, mass spectrometry, elemental analysis and X-ray diffraction. Additionally, for newcomplexes DFT calculations...
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Relationship between copper(ii) complexes with FomA adhesin fragments ofF. nucleatumand colorectal cancer. Coordination pattern and ability to promote ROS production
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Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology
PublicationA series of four Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde (L) with different inorganic anions within or outside the coordination sphere of general formula: [CdCl2 L2 ] (1), [CdBr2 L 2] (2), [CdI2L 2] (3), and [CdL4 ](PF6 )2 ·3H2 O (4) was synthesized through one-step and two-step reactions, respectively. All complexes were obtained as colorless crystals without the need for recrystallization and exhibited solubi- lity...
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Solvent influence on the crystal structures of new cadmium tri-tert -butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity
PublicationMonocrystals of dinuclear 1,4-bis(3-aminopropyl)piperazine-�4N1,N10:N4,N40-bis[bis(tri-tert-butoxysilanethiolato-�S)cadmium(II)], [Cd2(C12H27O3SSi)4(C10-H24N4)] or [Cd2{SSi(OtBu)3}4(�-BAPP)], 1, and polynuclear catena-poly[[bis- (tri-tert-butoxysilanethiolato-�S)cadmium(II)]-�-1,4-bis(3-aminopropyl)piperazine-�2N10:N40], [Cd(C12H27O3SSi)2(C10H24N4)]n or [Cd{SSi(OtBu)3}2(�-BAPP)]n, 2, with 1,4-bis(3-aminopropyl)piperazine (BAPP)...
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Tri-tert-butoxysilanethiolate complexes of manganese(II) with chelating heterocyclic bases - Structure of compounds with a MnN2O2S2 or MnN2OS2 kernel and MeOH within the coordination sphere
PublicationNieliczna, do tej pory, grupa tiolanowych kompleksów manganu (II) wzbogaciła się o układy wywodzące się z tri-tert-butoksysilanotiolu jako źródła liganda. Połączenia te można ustabilizować wprowadzając N-donorowe ligandy chelatujące takie jak 2,2'-bipirydyl (bipy), 1,10-fenantrolina (phen) czy też 2,9-dimetylo-1,10-fenantrolina (neo).Skład związków[(tBuO)3SiS]2Mn(bipy) (2), [(tBuO)3SiS]2Mn(phen)(MeOH)] (3), [(tBuO)3SiS]2Mn(phen)]...
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Conservative surgical repair in cervical atresia associated with partial or complete absence of the vagina
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Odontogenic orbital cellulitis in a young man with complete vision loss – a case report
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The complete stereochemistry of the antibiotic candicidin A3 (syn. ascosin A3, levorin A3)
PublicationHerein, the stereostructure of the aromatic heptaene macrolide (AHM) antifungal antibiotic candicidin A3 (syn. ascosin A3, levorin A3) has been established upon the 2D NMR studies, consisting of DQF-COSY, TOCSY, ROESY, HSQC and HMBC experiments, as well as upon extensive molecular dynamics simulations. The geometry of the heptaenic chromophore was defined as: (22E, 24E, 26Z, 28Z, 30E, 32E, 34E). The previously unreported absolute...
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Machine-aided detection of SARS-CoV-2 from complete blood count
PublicationThe current gold standard for SARS-CoV-2 detection methods lacks the functionality to perform population screening. Complete blood count (CBC) tests are a cost-effective way to reach a wide range of people – e.g. according to the data of the Central Statistical Office of Poland from 2016, there are 3,000 blood diagnostic laboratories in Poland, and 46% of Polish people have at least one CBC test per year. In our work, we show...
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The Teutonic crusade in Prussia: reconstruction of a medieval fortified settlement complex at Unisław
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Pitch shifter with complex instantaneous frequency rescaling and direct digital synthesis
PublicationW artykule zaprezentowano nowy przesuwnik wysokości dźwięku ze skalowaniem częstotliwości chwilowej i z syntezą bezpośrednią. Jest on przeznaczony do komponowania melodii np. w telefonie komórkowym. Implementacja przesuwnika jest oparta na twierdzeniu Bedrosiana, zastosowanego do zespolonego odpowiednika hilbertowskiego przetwarzanego sygnału rzeczywistego. Filtr Hilberta pełni tu też dodatkową rolę. Jest nią filtracja antyaliasingowa....
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Thermally stimulated currents in amorphous solids due to complex heating regimes
PublicationPodano opis teoretyczny prądów termicznie stymulowanych w ciałach amorficznych. Dokonano rozszerzenia istniejących wzorów przybliżonych na przypadki opóźnionego i krokowego ogrzewania próbki. Otrzymane wyrażenia zweryfikowano za pomocą obliczeń numerycznych dla przypadku wykładniczego rozkładu pułapek.
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Tracts of high or low sequence divergence in the mouse major histocompatibility complex.
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A complex evaluation of lightning protection earthings using the impulse testing method
PublicationW artykule zamieszczono opis nowej procedury pomiaru uziemień odgromowych metodą udarową. Zgodnie z propozycję podczas testu udarowego można pomierzyć nie tylko impedancję udarową uziemienia, ale także ocenić jego rezystancję oraz współczynnik udaru. Wynik takiego badania uwzględnia tylko tę część uziomu, którą określa się jako jego długość efektywną.
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Molecular modeling of amphotericin B - ergosterol primary complex in water II
PublicationPrezentowane badania dotyczą oddziaływania antybiotyku polienowego anfoterycyny B (AmB) i ergosterolu (ERG) (typowego sterolu błonowego komórek grzybowych) na poziomie molekularnym. W odróżnieniu od badanego poprzednio kompleksu binarnego analizowany obecnie kompleks AnB/ERG/AmB charakteryzuje się zdecydowanie wiekszą stabilnością i wzglednie sztywną, sandwiczową geometrią. Za trwałość i geometrie kompleksu odpowiedzialne są oddziaływania...
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Application of the Regional Security Complex Theory for Security Analysis in the Persian Gulf
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Magnetic properties of charge ordered complex TCNQ salts with lattice distortions
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Effects of electric field on a copper–dioxolene complex adsorbed on a gold surface
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Selected mitochondrial genes as species markers of the Arctic Contracaecum osculatum complex
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The INTERSALT Study and the complex relationship between salt intake and blood pressure
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Complex Monitoring of the Coastal Cliffs on the Example of Cliff in Jastrzebia Gora, Poland
PublicationThe cliff coasts, which are in total about 100 km long, are especially vulnerable to abrasion. The mean regression of the studied object which is the seacliff in Jastrzebia Gora depends on time. For example, from 1875 to 1937 the cliff regress 90 m in mean pace of 1.4 meter a year. Besides of natural factors causing the degradation, there is also an anthropogenic activity, which speeds up the abrasion process. Based on these informations,...
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A Stabilized Complex LOBPCG Eigensolver for the Analysis of Moderately Lossy EM Structures
PublicationThis letter proposes a stabilized locally optimal block preconditioned conjugate gradient method for computing selected eigenvalues for complex symmetric generalized non-Hermitian eigenproblems. Effectiveness of the presented approach is demonstrated for a moderately lossy dual-mode dielectric resonator, modeled using finite-element method with higher order elements
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Speech formant frequency and pitch estimation using instantaneous complex frequency
PublicationW pracy opisany został algorytm estymacji częstotliwości podstawowej oraz częstotliwości środkowych i pasm formantów mowy z wykorzystaniem zespolonej pulsacji chwilowej. W artykule przedstawiono również wyniki działania algorytmu dla polskich samogłosek.
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Mechatronic design for the high speed milling surveillance of the complex and flexible details
PublicationW pracy przedstawiono mechatroniczny system tworzenia mapy optymalnych prędkości obrotowych wrzeciona. W trakcie frezowania szybkościowego przedmiotów podatnych mogą wystąpić drgania samowzbudne typu chatter. Używana zazwyczaj procedura ustawiania wymaganej prędkości obrotowej wrzeciona metodą prób i błędów, w wielu przypadkach nie jest zalecana. Przedstawiona procedura nadzorowania może doprowadzić do uniknięcia ryzyka wystąpienia...
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A new approach to a fast and accurate design of microwave circuits with complex topologies
PublicationA robust simulation-driven design methodology of microwave circuits with complex topologies has been presented. The general method elaborated is suitable for a wide class of N-port unconventional microwave circuits constructed as a deviation from classic design solutions. The key idea of the approach proposed lies in an iterative redesign of a conventional circuit by a sequential modification and optimisation of its atomic building...
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Measurement of complex refractive index of human blood by low-coherence interferometry
PublicationIn this article, the usefulness of the optical technique for measurements of blood complex refractive index has been examined. Measurement of optical properties of human blood is difficult to perform because of its nonuniform nature. However, results of my investigation have shown the usefulness of low-coherencei nterferometry for measurement complex refractive index of human blood. Furthermore, mathematical analysis of spectrum...
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Ontology Oriented Approach to Service Selection and Invocation in Complex Context Analysis
PublicationContext-aware applications running in the intelligent space are taken into account and their execution in the service oriented environment is considered. It has been presented where and how SOA services can be utilized during their execution: to analyze current context of the application and to support execution of strictly determined actions suitable for that context. The proposed mechanism of context-aware service selection and...
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Efficient Complex Root Finding Algorithm for Microwave and Optical Propagation Problems
PublicationArticle relates to the use of innovative root finding algorithm (on a complex plane) to study propagation properties of microwave and optical waveguides. Problems of this type occur not only in the analysis of lossy structures, but also in the study of complex and leaky modes (radiation phenomena). The proposed algorithm is simple to implement and can be applied for functions with singularities and branch cuts in the complex plane...
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FPGA computation of magnitude of complex numbers using modified CORDIC algorithm
PublicationIn this work we present computation of the magnitude of complex numbers using a modified version of the CORDIC algorithm that uses only five iterations. The relationship between the computation error and the number of CORDIC iterations are presented for floating-point and integer arithmetics. The proposed modification of CORDIC for integer arithmetic relies upon the introduction of correction once basic computations are performed...
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Solution of coupled integral equations for quantum scattering in the presence of complex potentials
PublicationIn this paper, we present a method to compute solutions of coupled integral equations for quantum scattering problems in the presence of a complex potential. We show how the elastic and absorption cross sections can be obtained from the numerical solution of these equations in the asymptotic region at large radial distances.
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Simulation modelling for managing complex systems: case study for maintenance services.
PublicationModelowanie symulacyjne zyskuje sobie pozycje najważniejszego narzędzia w obszarze zarządzania wiedzą i informacją. W pracy przedstawiono zastosowanie modelowania symulacyjnego w zarządzaniu przepływem informacji w systemach złożonych. Posłużono się przykładem serwisu eksploatacji i przeglądów remontowych dla pięciu geograficznie rozproszonych przedsiębiorstw.
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Global Complex Roots and Poles Finding Algorithm in C × R Domain
PublicationAn algorithm to find the roots and poles of a complex function depending on two arguments (one complex and one real) is proposed. Such problems are common in many fields of science for instance in electromagnetism, acoustics, stability analyses, spectroscopy, optics, and elementary particle physics. The proposed technique belongs to the class of global algorithms, gives a full picture of solutions in a fixed region ⊂ C × R and...
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Thermodynamic and electrostatic properties of ternary Oxytricha nova TEBP-DNA complex
PublicationZa pomocą metod chemi obliczeniowej badano właściwości molekularne kompleksu telomerowego białka TEBP z Oxytricha nova w kompleksie trójskkładnikowym z DNA o sekwencji telomerowej. Wyliczone wartości energii kompleksowania wskazują specyficznie na jedną z dróg tworzenia kompleksu, gdzie wpierw podjednostka alfa łaczy się z DNA a następnie podjednostka beta dołącza się do takiego dwuskładnikowego kompleksu. Policzone rozkłady molekularnego...
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Novel Nonlinear High Order Technologies for Damage Diagnosis of Complex Assets
PublicationFor the first time worldwide, innovative techniques, generic non-linear higher-order unnormalized cross-correlations of spectral moduli, for the diagnosis of complex assets, are proposed. The normalization of the proposed techniques is based on the absolute central moments, that have been proposed and widely investigated in mathematical works. The existing higher-order, crosscovariances of complex spectral components are not sufficiently...
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Nuclear localization of P-glycoprotein is responsible for protection of the nucleus from doxorubicin in the resistant LoVo cell line
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Nuclear Activation Methods in the Estimation of Environmental Pollution and the Assessment of the Industrial Plant Impact on the Citizens of Gdansk (Poland)
PublicationNeutronowa Analiza Aktywacyjna została wykorzystana do oceny stanu jakości powietrza atmosferycznego na podstawie badań analitycznych stopnia kumulacji zanieczyszczeń nieorganicznych w mchu torfowca, a także składu wód opadowych. Ponadto przedstawiono wyniki badań dotyczących szacowania ryzyka zawodowego pracowników zakładów przemysłowych na podstawie analizy próbek materiału biologicznego pobranego od osób narażonych.
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A TPC Detector for Studying Photo-nuclear Reactions at Astrophysical Energies with Gamma-ray Beams at ELI--NP
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DNA strand breaks induced by nuclear hijacking of neuronal NOS as an anti-cancer effect of 2-methoxyestradiol
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Resonance conditions for Mo93m isomer depletion via nuclear excitation by electron capture in a beam-based scenario
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Application of data driven methods in diagnostic of selected process faults of nuclear power plant steam turbine
PublicationArticle presents a comparison of process anomaly detection in nuclear power plant steam turbine using combination of data driven methods. Three types of faults are considered: water hammering, fouling and thermocouple fault. As a virtual plant a nonlinear, dynamic, mathe- matical steam turbine model is used. Two approaches for fault detection using one class and two class classiers are tested and compared.
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Common methods for the chiral determination of amphetamine and related compounds II: Capillary electrophoresis and nuclear magnetic resonance
PublicationAmphetamine group and related ring-substituted substances are generally synthetic compounds, belonging to one of the most heavily abused drug groups in recent years. Some compounds in this class also originate from plants. Analysis of the enantiomers of AM-type compounds and metabolites is extremely important for a number of scientific disciplines. From studies of biological activity or mechanisms through determination of precursor...
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Wieloobszarowa regulacja systemu turbogeneratora elektrowni jądrowej =Multiregional control of nuclear power plant turbogenerator system
PublicationW artykule przedstawiono propozycję zaawansowanej struktury sterowania układem turbogeneratora w szerokim zakresie zmian zapotrzebowania na moc czynną. Dla potrzeb syntezy tej struktury wykorzystano nieliniowe, dynamiczne modele turbiny parowej i generatora synchronicznego współpracującego z systemem elektroenergetycznym. Zaproponowane algorytmy sterowania oparte są odpowiednio o wieloobszarowe regulatory rozmyte, z lokalnymi regulatorami...
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Robustness Analysis of a Distributed MPC Control System of a Turbo-Generator Set of a Nuclear Plant – Disturbance Issues
PublicationTypically, there are two main control loops with PI controllers operating at each turbo-generator set. In this paper, a distributed model predictive controller with local quadratic model predictive controllers for the turbine generator is proposed instead of a set of classical PI controllers. The local quadratic predictive controllers utilize step-response models for the controlled system components. The parameters of these models...
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Coordination complexes of Mn(II), Co(II), Ni(II), Zn(II) and Cd(II) with histaminol – Crystal structures and formation constants in aqueous solution
PublicationStability constants were determined for a series of coordination complexes of Mn(II), Co(II), Ni(II), Zn(II) and Cd(II) with histaminol in aqueous solution. The tendency of histaminol to form chelate complexes has been confirmed by the isolation of several complex species in the monocrystalline form and determination of their molecular structures.
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Complete Genome Sequence of the Probiotic Strain Lactobacillus casei (Formerly Lactobacillus paracasei) LOCK919
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COVID-19 severity forecast based on machine learning and complete blood count data
PublicationProper triage of COVID-19 patients is a key factor in eective case management, especially with limited and insucient resources. In this paper, we propose a machine-aided diagnostic system to predict how badly a patient with COVID-19 will develop disease. The prognosis of this type is based on the parameters of commonly used complete blood count tests, which makes it possible to obtain data from a wide range of patients.We chose...