Search results for "VALUATION"

showing 10 items of 2494 documents

Synthesis, biological evaluation and chemometric analysis of indazole derivatives. 1,2-Disubstituted 5-nitroindazolinones, new prototypes of antichag…

2012

Chagas disease chemotherapy, currently based on only two drugs, nifurtimox and benznidazole, is far from satisfactory and therefore the development of new antichagasic compounds remains an important goal. On the basis of antichagasic properties previously described for some 1,2-disubstituted 5-nitroindazolin-3- ones (21, 33) and in order to initiate the optimization of activity of this kind of compounds, we have prepared a series of related analogs (22-32, 34-38, 58 and 59) and tested in vitro these products against epimastigote forms of Trypanosoma cruzi. 2-Benzyl-1-propyl (22), 2-benzyl-1-isopropyl (23) and 2-benzyl-1-butyl (24) derivatives have shown high trypanocidal activity and low un…

Models MolecularDrugChagas diseaseIndazolesStereochemistryTrypanosoma cruzimedia_common.quotation_subjectStructure-Activity Relationshipchemistry.chemical_compoundParasitic Sensitivity TestsDrug DiscoverymedicineNifurtimoxTrypanosoma cruziBiological evaluationmedia_commonPharmacologyIndazoleDose-Response Relationship DrugMolecular StructurebiologyOrganic ChemistryGeneral Medicinemedicine.diseasebiology.organism_classificationTrypanocidal AgentsCombinatorial chemistrychemistryBenznidazolemedicine.drugEuropean Journal of Medicinal Chemistry
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Targeting the Class A Carbapenemase GES-5 via Virtual Screening

2020

The worldwide spread of &beta

Models MolecularDrugantibiotic resistanceGES-5Antibiotic resistancemedia_common.quotation_subjectIn silicoDrug Evaluation Preclinicallcsh:QR1-502Guyana extended-spectrum-β-lactamaseMicrobial Sensitivity TestsComputational biologyBiologyBiochemistrybeta-LactamasesArticlelcsh:Microbiologyguyana extended-spectrum-β-lactamasecarbapenemase03 medical and health sciencesAntibiotic resistanceBacterial ProteinsDrug Resistance BacterialHumansAntibiotic resistance; GES-5; Guyana extended-spectrum-β-lactamase; carbapenemase; virtual screening; docking; noncovalent inhibitionges-5noncovalent inhibitionMolecular Biology030304 developmental biologymedia_common0303 health sciencesVirtual screening030306 microbiologyAntibiotic resistance; Carbapenemase; Docking; GES-5; Guyana extended-spectrum-β-lactamase; Noncovalent inhibition; Virtual screeningHit to leadvirtual screeningAntimicrobialAnti-Bacterial AgentsCarbapenemsdockingBiomolecules
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Non-stochastic quadratic fingerprints and LDA-based QSAR models in hit and lead generation through virtual screening: theoretical and experimental as…

2005

In order to explore the ability of non-stochastic quadratic indices to encode chemical information in antimalarials, four quantitative models for the discrimination of compounds having this property were generated and statistically compared. Accuracies of 90.2% and 83.3% for the training and test sets, respectively, were observed for the best of all the models, which included non-stochastic quadratic fingerprints weighted with Pauling electronegativities. With a comparative purpose and as a second validation experiment, an exercise of virtual screening of 65 already-reported antimalarials was carried out. Finally, 17 new compounds were classified as either active/inactive ones and experimen…

Models MolecularQuantitative structure–activity relationshipStereochemistryDrug Evaluation PreclinicalMolecular ConformationQuantitative Structure-Activity RelationshipMolecular conformationChemometricsAntimalarialsQuadratic equationHeterocyclic CompoundsDrug DiscoveryComputer SimulationPharmacologyVirtual screeningChemistryComputer aidOrganic ChemistryReproducibility of ResultsChloroquineGeneral MedicineLinear discriminant analysisDrug DesignTopological indexHeminCrystallizationBiological systemAlgorithmsEuropean Journal of Medicinal Chemistry
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Efficient virtual screening using multiple protein conformations described as negative images of the ligand-binding site.

2010

The protein structure-based virtual screening is typically accomplished using a molecular docking procedure. However, docking is a fairly slow process that is limited by the available scoring functions that cannot reliably distinguish between active and inactive ligands. In contrast, the ligand-based screening methods that are based on shape similarity identify the active ligands with high accuracy. Here, we show that the usage of negative images of the ligand-binding site, together with shape comparison tools, which are typically used in ligand-based virtual screening, improve the discrimination of active molecules from inactives. In contrast to ligand-based shape comparison, the negative …

Models MolecularVirtual screeningBinding SitesChemistryProtein ConformationGeneral Chemical EngineeringDrug Evaluation PreclinicalProteinsHydrogen BondingGeneral ChemistryComputational biologyLibrary and Information SciencesLigandsComputer Science ApplicationsUser-Computer InterfaceProtein structureBiochemistryROC CurveDocking (molecular)Computer GraphicsBinding siteDatabases ProteinSoftwareProtein BindingJournal of chemical information and modeling
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Savoir évaluer les compétences développées par les élèves : quels outils à la disposition du chercheur en éducation ?

2008

08099; Cet article porte sur la structure et l'évolution des compétences développées par les élèves au cours de l'école élémentaire. A partir d'analyses menées sur les données de panel du ministère de l'Education nationale, le questionnement général repose sur une mesure originale des compétences, basée sur des modèles structuraux. Il comporte deux aspects complémentaires. Le premier concerne la transversalité des apprentissages qui s'inscrivent dans une logique d'interdépendance. La maîtrise d'une compétence peut être ainsi fortement liée à la maîtrise d'autres compétences appartenant, soit à un même domaine d'acquisition, soit à des domaines différents ; la notion de bloc de compétences e…

Modèle structural[SHS.EDU]Humanities and Social Sciences/EducationEnseignement élementaire[SHS.EDU] Humanities and Social Sciences/EducationElève[ SHS.EDU ] Humanities and Social Sciences/EducationCompétenceEvaluation des compétences
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Quality of life after upper third molar removal: a prospective longitudinal study

2017

Background Third molar extraction is a very common procedure in Dentistry. The aim of this study was to evaluate the quality of life (QoL) and satisfaction of patients undergoing extraction of an upper third molar under local anesthesia. A second objective was to describe the evolution of self-reported pain measured in a visual analogue scale (VAS) in the 7 days after surgery and its relationship with pre- and intraoperative factors. Material and Methods A prospective longitudinal cohort study was made. Fifty-five patients received a questionnaire assessing social and working isolation, eating and speaking ability, diet modifications, sleep impairment, physical appearance, discomfort at sut…

MolarAdultMaleQuality of lifeLongitudinal studyWisdom toothVisual analogue scaleDentistryOdontologia03 medical and health sciencesDiagnostic Self Evaluation0302 clinical medicinePatient satisfactionQuality of lifeMedicineHumansTeeth extractionLocal anesthesiaLongitudinal StudiesProspective Studies030223 otorhinolaryngologyProspective cohort studyGeneral DentistryPain MeasurementExtracció dentalPain Postoperativebusiness.industryResearchQueixal del seny030206 dentistry:CIENCIAS MÉDICAS [UNESCO]OtorhinolaryngologyPatient SatisfactionQualitat de vidaDentistryTooth ExtractionUNESCO::CIENCIAS MÉDICASQuality of LifeSurgeryFemaleMolar ThirdOral SurgerybusinessComplication
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Comparative evaluation of shear bond strength of three flowable compomers on enamel of primary teeth: An in-vitro study

2015

Background: The aim of the present study was to determine Shear bond strength (SBS) of different flowable compomers on the enamel surface of primary teeth. The null hypothesis to be tested was that none of the flowable compomer would differ significantly from the other two with respect to SBS. As a result, the tested materials that have the easiest application on child patient is preferred. Material and Methods: Sixty newly extracted non carious primary molars were selected. The buccal surface was cleaned and polished to obtain a flat enamel surface. The specimens were randomly divided into three groups of 20 teeth each, based on the flowable compomers applied, as follows: group I: Dyract F…

MolarGroup iiDentistryOdontología01 natural sciencesOperative Dentistry and EndodonticsComparative evaluation03 medical and health sciences0302 clinical medicinestomatognathic systemIn vitro studyGeneral DentistryEnamel paintChemistrybusiness.industryResearch010401 analytical chemistrySignificant differenceShear bond strength030206 dentistry:CIENCIAS MÉDICAS [UNESCO]Ciencias de la saludShear bond0104 chemical sciencesPrimary teethstomatognathic diseasesvisual_artUNESCO::CIENCIAS MÉDICASvisual_art.visual_art_mediumbusinessFlowable compomer
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A comparative evaluation between cheiloscopic patterns and the permanent molar relationships to predict the future malocclusions

2019

Background To assess the correlation between different cheiloscopic patterns with the permanent molar relationships. Material and methods 300 children who are 14-16 years old with completely erupted 2nd permanent molars upto occlusal table were recruited and the pattern of molar terminal plane was recorded in the proforma. Lip prints of these subjects were recorded with lipstick-cellophane method and middle 10mm of lower lip was analysed for the lip print pattern as suggested by Sivapathasundharam et al. The pattern were classified based on Tsuchihashi and Suzuki classification. Results Type II (branched) pattern was the most predominant cheiloscopic pattern. The predominant patterns which …

MolarOrthodonticsResearchLower lipMolar relationshipOrthodonticsBiology:CIENCIAS MÉDICAS [UNESCO]medicine.diseaseComparative evaluationSample size determinationUNESCO::CIENCIAS MÉDICASReticular connective tissuemedicineMalocclusionDermatoglyphicsGeneral DentistryJournal of Clinical and Experimental Dentistry
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An in vivo comparative study of two apex locators

1994

Two different electronic apex locators were used before extraction to determine working length in 116 root canals belonging to 34 molars. The results were then compared with postextraction working length measurements. The determinations were made before and after eliminating the canal contents and drying the interior. The results showed that 84.8% and 79.3% of the Odometer, and 89.6% and 88.7% of the Endocater readings for dry and nondry canals, respectively, occurred within the two 0.5-mm intervals closest to the apical constriction.

Molarbusiness.industryReproducibility of ResultsWaterDentistryApical constrictionMolarRoot Canal TherapyApex (geometry)Evaluation Studies as TopicHumansOdontometryDental Pulp CavityTooth RootbusinessGeneral DentistryMathematicsJournal of Endodontics
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Measurement uncertainty impact on simplified load flow analysis in MV smart grids

2018

This work is focused on the measurement uncertainty impact on load flow analysis in medium voltage (MV) distribution networks. In more detail, the paper presents the uncertainty evaluation of a simplified load flow algorithm, which is based on the load power measurements at each secondary substation and one voltage measurement at the slack bus (i.e. the voltage at the MV bus bars of the primary substation). To reduce the costs of the monitoring system, the load flow algorithm makes use of LV load power measurements for all the substations except those of MV users, where MV transducers are usually already installed. The uncertainties on the algorithm input quantities (load powers and slack b…

MonitoringBusbar020209 energyMonte Carlo methodElectric load flowAdvanced metering infrastructure (AMI)02 engineering and technologySmart gridUncertainty evaluationElectric power system measurementPower quality analyzerSlack buspower system monitoringElectric power transmission networksControl theory0202 electrical engineering electronic engineering information engineeringpower quality analyzers (PQA)MedicinePower-flow studyload flow analysiSafety Risk Reliability and QualityInstrumentationbusiness.industryElectric power distributionPower (physics)Smart gridPower system measurementMeasurement uncertaintybusinessSettore ING-INF/07 - Misure Elettriche E ElettronicheVoltage
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