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Enhancing the comprehensibility of multidimensional phenomena: The optimal-entropy method for constructing composite indicators. A new index to measure the quality of the public health system in the municipalities of Minas Gerais

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Science Talks 2025年 13卷

作者： Coimbra, André Gomes Libório, Matheus P. Brunsdon, Chris Carvalho, Paulo F. Ekel, Petr Postgraduate Program in Computational Modeling and Systems State University of Montes Claros – UNIMONTES Montes Claros Brazil State University of Montes Claros – UNIMONTES Brazil Maynooth University Ireland Pontifical Catholic University of Minas Gerais Brazil

The analysis of multidimensional phenomena, such as the public health system, poses significant challenges due to the need to integrate and interpret data from different sources and natures, and composite indicators offer an aggregated and simplified view of the multidimensional phenomenon. This article proposes a method for constructing composite indicators using the optimal entropy technique, applied to the evaluation of the quality of the public health system in municipalities in Minas Gerais with more than 30 thousand inhabitants. The focus is on weighting, aiming to maximize the discrimination between the indicators, solving important problems presented by the traditional entropy weighting method. The approach uses the data entropy test and sequential quadratic programming for optimization. The results indicate that the use of linear entropy instead of Shannon entropy in the entropy test increases the variability and discriminant power of the indicators, contributing to a more accurate analysis of the quality of the public health system. © 2024 The Authors

关键词： Composite indicator Health system quality Linear entropy Operational research Optimal entropy

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Applying computational Intelligence to Improve Judiciary Efficiency 5

Applying Computational Intelligence to Improve Judiciary Eff...

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5th International Conference on Transdisciplinary AI, TransAI 2023

作者： Ferrari Faccioni, Marcelo Augusto Da Silva Lisboa, Marcelo Rocha, Marcelo Lisboa Prata, David Nadler Barbosa, Gentil Veloso 1st Special Court of the District of Palmas Court of Justice of Tocantins TO Palmas Brazil Information Technology Department Secretary of Administration of Tocantins TO Palmas Brazil Federal University of Tocantins Postgraduate Program in Computational Systems Modeling TO Palmas Brazil Federal University of Tocantins Program in Computational Systems Modeling TO Palmas Brazil

ISBN: (纸本)9798350358018

The present work aims to demonstrate that the use of computational intelligence in judicial provision can bring speed and legal certainty to judicial decisions. The possibility of using a technological tool based on processing in natural language and textual classification will be created and then evaluated for the simultaneous application of judicial precedents. With this, it will be sought to prove that the judicial decision can be rendered more quickly. Through the use of computational intelligence, we carried out the reading of the initial petition of processes distributed with the Special Courts of the District of Palmas-Toin Brazil in the years 2019 to 2022, focusing in the binding precedents edited by the STF and ST J. We seek the possible incidence and application of the binding precedent in the specific case and thus demonstrate that the judge could know, right after the filing of the action, that the object of the inaugural claim already had a manifestation of the STF or STJ and therefore it would be up to the judgment of injunction, and thus prove the possibility of obtaining speed and legal certainty in the jurisdictional provision with the combined use of technology with binding precedents. © 2023 IEEE.

关键词： Artificial intelligence

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An approximate MIP-DoM calculation for multi-objective optimization using affinity propagation clustering algorithm 21

An approximate MIP-DoM calculation for multi-objective optim...

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2021 Genetic and Evolutionary Computation Conference, GECCO 2021

作者： Lopes, Claudio L. V. Martins, Flávio V. C. Wanner, Elizabeth F. Deb, Kalyanmoy Postgraduate Program in Mathematical and Computational Modeling CEFET-MG BH Mg Brazil Computer Department CEFET-MG BH Mg 30510-000 Brazil Computer Department CEFET-MG BH Mg Brazil

ISBN: (纸本)9781450383516

Dominance move (DoM) is a quality indicator that compares two solution sets in a Pareto-optimal sense. The main issue related to DoM is its computational expense. A recent paper proposed a mixed-integer programming (MIP) approach for computing DoM that exhibited a computational complexity that is linear to the number of objectives and polynomial to the number of solutions. Even with this property, considering practical situations, the MIP-DoM calculation on some problems may take many hours. This paper presents an approximation method to deal with the problem using a cluster-based and divide-and-conquer strategy. Some experiments are tested, showing that the cluster based-algorithm is computationally much faster and makes a small percentage error from the original DoM value. © 2021 Owner/Author.

关键词： Multiobjective optimization

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computational investigation of antifungal compounds using molecular modeling and prediction of ADME/tox properties

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Journal of computational and Theoretical Nanoscience 2015年第10期12卷 3682-3691页

作者： Cunha, Edilson L. Santos, César F. Braga, Francinaldo S. Costa, Josivan S. Silva, Raí C. Favacho, Hugo A. S. Hage-Melim, Lorane I. S. Carvalho, José C. T. Da Silva, Carlos H. T. P. Santos, Cleydson B. R. Laboratory of Drug Research School of Pharmaceutical Sciences Federal University of Amapá Macapá Amapá Brazil Postgraduate Program in Pharmaceutical Innovation Federal University of Amapá Rod JK Km 2 Macapá Amapá Brazil Laboratory of Modeling and Computational Chemistry Federal University of Amapá Rod JK Km 2 Macapá AP Brazil Postgraduate Program in Pharmaceutical Sciences Federal University of Amapá Macapá Amapá Brazil Computational Laboratory of Pharmaceutical Chemistry Faculty of Pharmaceutical Sciences of Ribeirão Preto University of São Paulo Ribeirão Preto São Paulo Brazil

Amazonian plants are commonly used to combat superficial mycoses, mainly by indigenous and riverine communities from Amazon. Three anthraquinones chrysophanol, emodin and physcion has pharmaceutical activity include antifungal activity. Ciclopirox compound is synthetic drug acting on the cell membrane of fungi inhibiting protein synthesis, differently of imidazole that act on the metabolism of ergosterol. In this work aimed to perform a computational investigation of antifungal compounds using molecular modeling in the DFT method and B3LYP/6-31G∗basis sets for the following compounds: Ciclopirox, Chrysophanol, Emodin and physcion. The investigation of chemical reactivity and molecular stability suggested that the more stable and less reactive compound is the compound 4 (physcion) which showed gap =-0.01960 eV value, differently of compound 1 (Ciclopirox) which showed low stability and high chemical reactivity. The Pearson correlation was performed between the calculated descriptors and the total energy (TE) to evaluate the descriptors that have better correlations. Similarly the correlation of the calculated descriptors was performed with the hydration energy (HE). Molecular electrostatic potential maps (MEPs) were used to investigate the probable sites of biological activity, and for these compounds were predicted pharmacokinetic properties: human intestinal absorption (HIA), cellular permeability (PCaco-2, cell permeability Maden Darby Canine Kidney (PMDCK, skin permeability (PSkin, plasma protein binding (PPB) and penetration of the blood-brain barrier (CBrain/CBlood, and toxicological: mutagenicity and carcinogenicity. The physcion compound showed satisfactory results to the compare the parameters obtained by the other investigated compounds, possessing good pharmacokinetic and toxicology results. Consequently, further studies need be done to evaluate their actions, toxicity, and potential use for treatment of fungi. Copyright © 2015 American Scientific Publishe

关键词： Biosynthesis

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A node placement optimization method for watershed underwater sensor networks 9

A node placement optimization method for watershed underwate...

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9th ACM International Conference on Underwater Networks and Systems, WUWNet 2014

作者： Barbosa, Gentil V. Letouze, Patrick Xavier, Adilson E. Department of Computer Science UFT - Universidade Federal do Tocantins PESC Brazil Department of Computer Science UFT - Universidade Federal do Tocantins MCS - Postgraduate Program of System's Computational Modeling Brazil PESC - Postgraduate Program of System's Engineering and Computation UFRJ - Universidade Federal do Rio de Janeiro Brazil

ISBN: (纸本)9781450332774

Given a set of underwater sensors coordinates that are usually determined by a specialist for the design of a watershed monitoring system, where should be placed the sinks and the base station? The answer may be the minimization of the Variable Internode Distance. In such cases, a two dimensional architecture is acceptable because it is a shallow water system. Hence, in this paper, it is proposed a two-level node distance minimization for Underwater Wireless Sensor Network for monitoring systems. The mathematical method employed for optimization is the Hyperbolic Smoothing approach and the proposed method includes the placement of the base-station in the algorithm. Copyright 2014 ACM.

关键词： Base stations

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An Evolutionary Analytic Center Classifier 9th

An Evolutionary Analytic Center Classifier

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9th Brazilian Conference on Intelligent Systems, BRACIS 2020

作者： Goulart, Renan Motta Villela, Saulo Moraes Borges, Carlos Cristiano Hasenclever Neto, Raul Fonseca Postgraduate Program in Computational Modeling Federal University of Juiz de Fora Juiz de ForaMinas Gerais Brazil Department of Computer Science Federal University of Juiz de Fora Juiz de ForaMinas Gerais Brazil

ISBN: (纸本)9783030613761

Classification is an essential task in the field of Machine Learning, where developing a classifier that minimizes errors on unknown data is one of its central problems. It is known that the analytic center is a good approximation of the center of mass of the version space that is consistent with the Bayes-optimal decision surface. Therefore, in this work, we propose an evolutionary algorithm, relying on the convexity properties of the version space, that evolves a population of perceptron classifiers in order to find a solution that approximates its analytic center. Hyperspherical coordinates are used to guarantee feasibility when generating new individuals and enabling exploration to be uniformly distributed through the search space. To evaluate the individuals we consider using a potential function that employs a logarithmic barrier penalty. Experiments were performed on real datasets, and the obtained results indicate concrete possibilities for applying the proposed algorithm for solving practical problems. © 2020, Springer Nature Switzerland AG.

关键词： Machine learning

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The Importance of Systematic Review as a Scientific Research Method for Computer Science: A Quantitative Systematic Review

The Importance of Systematic Review as a Scientific Research...

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2014 International Conference on Society,Education and Psychology(ICSEP 2015)

作者： Valéria M.Silva José I.M.Souza Júnior David N.Prata Patrick Letouze Department of Computer Science UFT-Universidade Federal do Tocantins Palmas Brazil Postgraduate Program of Systems’ Computational Modeling-UFT

The importance of Systematic Review to Computer Science research as a scientific method has to be assessed, because interdisciplinary and Internet scientific research are demanding it. Hence, this work is a quantitative systematic review of Systematic Reviews in the domain of Computer Science. Scientific Journal papers have been extracted from a number of representative databases between the years 2006 and 2012. From an initial amount of 3,097 papers, only 138 were selected resulting in a survival rate of 4.46%.

关键词： Computer Science Research,Computer Science Teaching,Research Education,Scientific Methodology,Systematic Review

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Antimalarial artemisinins derivatives study: Molecular modeling and multivariate analysis (PCA, HCA, KNN, SIMCA and SDA)

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Journal of computational and Theoretical Nanoscience 2015年第10期12卷 3443-3458页

作者： Macdo, Williams Jorge C. Braga, Francinaldo Sarges Santos, César Freitas Da Silva Costa, Josivan De Melo, Geraldo Souza De Mello, Marcello Neiva Sousa, Daniele Salgado Carvalho, José Carlos T. Do Socorro Barros Brasil, Davi Dos Santos, Cleydson Breno R. Laboratory of Molecular Modeling and Simulation System Federal Rural University of Amaznia Campus Capanema-Centro Rua João Pessoa 121 Capanema Pará Brazil Laboratory of Modeling and Computational Chemistry Federal University of Amapá Macapá Amapá Brazil Postgraduate Program in Pharmaceutical Sciences Federal University of Amapá Macapá Amapá Brazil Laboratory of Drug Research School of Pharmaceutical Sciences Federal University of Amapá Macapá Amapá Brazil Institute of Technology Federal University of Pará Belém-Pará-Amazon Brazil

A set of 20 artemisinins compounds with antimalarial activity against clone D-6 strains of Plasmodium falciparum, mefloquine resistant but chloroquine sensitive, were studied through quantum chemistry and multivariate analysis. The geometry optimization of structures was done with the Hartree-Fock (HF) theory and 6-31G∗basis set. Maps of molecular electrostatic potential (MEP) and molecular docking were used to investigate interaction between ligands and receptor (heme). The chemometrics methods employed was Principal Component Analysis (PCA), Hierarquical Cluster Analysis (HCA), K-Nearest Neighbor (KNN), Soft Independent modeling of Class Analogy (SIMCA) and Stepwise Discriminant Analisis (SDA) were employed to select most important descriptors, related to obtain possible relationships for two compounds classes with activity antimalarial. A predictive model was done with a set of 20 compounds artemisinin derivatives with known activity experimental by PCA, HCA, KNN, SIMCA and SDA classification methods. Four descriptors were responsible for separation between origin two class inactives and actives compounds: HOMO (highest occupied molecular orbital), QC3 (charge on atom carbon 3), logP (logarithm of the partition coefficient) and HATS7v (leverage-weighted autocorrelation of lag7/weighted by atomic Van der Waals Volume). The model proposed may follow the results of the MEP maps and docking molecular. Copyright © 2015 American Scientific Publishers.

关键词： Principal component analysis

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computational Analysis of Physicochemical, Pharmacokinetic and Toxicological Properties of Deoxyhypusine Synthase Inhibitors with Antimalarial Activity

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computational Molecular Bioscience 2014年第4期4卷 47-57页

作者： Nayara S.R.Silva Luana K.S.Goncalves Jonatas L.Duarte Juliane S.Silva César F.Santos Francinaldo S.Braga Raí C.Silva Josivan S.Costa Lorane I.S.Hage-Melim Cleydson B.Rdos Santos Laboratory of Modeling and Computational Chemistry Federal University of AmapáCampus Universitário Marco ZeroMacapáBrazil Postgraduate Program in Pharmaceutical Sciences Federal University of AmapáMacapáBrazil

Malaria is a parasitic disease which has as etiological agents protozoa of the genus Plasmodium prevalent in tropical countries. The appearance of Plasmodium strains resistant to artemisinin has become necessary the development of new drugs using computational tools to combat this epidemic. Diverse transporter proteins can act as antimalarials targets, thereby being the enzyme deoxyhypusine synthase a promising antimalarial target. The present study aimed to investigate 15 most active inhibitors of deoxyhypusine synthase target, deposited in databases Binding DB, in order to trace a pattern of physicochemical, pharmacokinetic and toxicological properties of the inhibitors for this enzyme and propose new inhibitors of deoxyhypusine synthase target. The physicochemical properties were obtained according to the Lipinski parameters to evaluate oral absorption. Based on the certain properties were proposed three new inhibitors (A, B and C). The ADME/Tox properties were calculated for new inhibitors compared with results of the selected compounds. The fifteen inhibitors for oral administration showed satisfactory results, because they have adapted to the Lipinski parameters. In relation to the penetration of the blood-brain barrier the inhibitors analyzed showed penetration values less than 1, and ranged from 0.0411815 to 0.481764, being that the compound 1 showed value of CBrain/CBlood = 0.135467. Compound B showed a higher strength in plasma protein binding in relation to the compound 1, having a variation be-tween them of ±1.489344. Therefore, the compound B would present a longer halflife compared with compound 1. The proposed compounds showed positive and satisfactory results, being able to reach less adverse effects related to the central nervous system depending of administered dose.

关键词： Antimalarial Activity Deoxyhypusine Synthase Inhibitors Physicochemical Property Pharmacokinetic and Toxicological Properties

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Semi-analytical finite element method applied for characterizing micropolar fibrous composites

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Applied Mathematics and Mechanics(English Edition) 2024年第12期45卷 2147-2164页

作者： J.A.OTERO Y.ESPINOSA-ALMEYDA R.RODRIGUEZ-RAMOS J.MERODIO School of Engineering and Sciences Monterrey Institute of TechnologyEstado de Mexico 52926Mexico Institute of Engineering and Technology Autonomous University of Ciudad JuarezCiudad JuarezChihuahua 32310Mexico Postgraduate Program in Computational Modeling in Science and Technology Federal Fluminense UniversityRıo de Janeiro 27255-125Brazil Faculty of Mathematics and Computer Science University of HavanaLa Habana 10400Cuba Department of Mathematics Applied to ICT School of Informatics Systems EngineeringTechnical University of MadridMadrid 28031Spain

A semi-analytical finite element method(SAFEM),based on the two-scale asymptotic homogenization method(AHM)and the finite element method(FEM),is implemented to obtain the effective properties of two-phase fiber-reinforced composites(FRCs).The fibers are periodically distributed and unidirectionally aligned in a homogeneous *** framework addresses the static linear elastic micropolar problem through partial differential equations,subject to boundary conditions and perfect interface contact *** mathematical formulation of the local problems and the effective coefficients are presented by the *** local problems obtained from the AHM are solved by the FEM,which is denoted as the *** numerical results are provided,and the accuracy of the solutions is analyzed,indicating that the formulas and results obtained with the SAFEM may serve as the reference points for validating the outcomes of experimental and numerical computations.

关键词： semi-analytical approach fiber-reinforced composite(FRC) effective property finite element method(FEM) asymptotic homogenization method(AHM) micropolar elasticity

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