894 resultados para similarity retrieval
Resumo:
A statistical method for classification of sags their origin downstream or upstream from the recording point is proposed in this work. The goal is to obtain a statistical model using the sag waveforms useful to characterise one type of sags and to discriminate them from the other type. This model is built on the basis of multi-way principal component analysis an later used to project the available registers in a new space with lower dimension. Thus, a case base of diagnosed sags is built in the projection space. Finally classification is done by comparing new sags against the existing in the case base. Similarity is defined in the projection space using a combination of distances to recover the nearest neighbours to the new sag. Finally the method assigns the origin of the new sag according to the origin of their neighbours
Resumo:
Abstract 1: Social Networks such as Twitter are often used for disseminating and collecting information during natural disasters. The potential for its use in Disaster Management has been acknowledged. However, more nuanced understanding of the communications that take place on social networks are required to more effectively integrate this information into the processes within disaster management. The type and value of information shared should be assessed, determining the benefits and issues, with credibility and reliability as known concerns. Mapping the tweets in relation to the modelled stages of a disaster can be a useful evaluation for determining the benefits/drawbacks of using data from social networks, such as Twitter, in disaster management.A thematic analysis of tweets’ content, language and tone during the UK Storms and Floods 2013/14 was conducted. Manual scripting was used to determine the official sequence of events, and classify the stages of the disaster into the phases of the Disaster Management Lifecycle, to produce a timeline. Twenty- five topics discussed on Twitter emerged, and three key types of tweets, based on the language and tone, were identified. The timeline represents the events of the disaster, according to the Met Office reports, classed into B. Faulkner’s Disaster Management Lifecycle framework. Context is provided when observing the analysed tweets against the timeline. This illustrates a potential basis and benefit for mapping tweets into the Disaster Management Lifecycle phases. Comparing the number of tweets submitted in each month with the timeline, suggests users tweet more as an event heightens and persists. Furthermore, users generally express greater emotion and urgency in their tweets.This paper concludes that the thematic analysis of content on social networks, such as Twitter, can be useful in gaining additional perspectives for disaster management. It demonstrates that mapping tweets into the phases of a Disaster Management Lifecycle model can have benefits in the recovery phase, not just in the response phase, to potentially improve future policies and activities. Abstract2: The current execution of privacy policies, as a mode of communicating information to users, is unsatisfactory. Social networking sites (SNS) exemplify this issue, attracting growing concerns regarding their use of personal data and its effect on user privacy. This demonstrates the need for more informative policies. However, SNS lack the incentives required to improve policies, which is exacerbated by the difficulties of creating a policy that is both concise and compliant. Standardization addresses many of these issues, providing benefits for users and SNS, although it is only possible if policies share attributes which can be standardized. This investigation used thematic analysis and cross- document structure theory, to assess the similarity of attributes between the privacy policies (as available in August 2014), of the six most frequently visited SNS globally. Using the Jaccard similarity coefficient, two types of attribute were measured; the clauses used by SNS and the coverage of forty recommendations made by the UK Information Commissioner’s Office. Analysis showed that whilst similarity in the clauses used was low, similarity in the recommendations covered was high, indicating that SNS use different clauses, but to convey similar information. The analysis also showed that low similarity in the clauses was largely due to differences in semantics, elaboration and functionality between SNS. Therefore, this paper proposes that the policies of SNS already share attributes, indicating the feasibility of standardization and five recommendations are made to begin facilitating this, based on the findings of the investigation.
Resumo:
Resumen basado en el de la publicación. Resumen en español
Resumo:
Quantum molecular similarity (QMS) techniques are used to assess the response of the electron density of various small molecules to application of a static, uniform electric field. Likewise, QMS is used to analyze the changes in electron density generated by the process of floating a basis set. The results obtained show an interrelation between the floating process, the optimum geometry, and the presence of an external field. Cases involving the Le Chatelier principle are discussed, and an insight on the changes of bond critical point properties, self-similarity values and density differences is performed
Resumo:
A procedure based on quantum molecular similarity measures (QMSM) has been used to compare electron densities obtained from conventional ab initio and density functional methodologies at their respective optimized geometries. This method has been applied to a series of small molecules which have experimentally known properties and molecular bonds of diverse degrees of ionicity and covalency. Results show that in most cases the electron densities obtained from density functional methodologies are of a similar quality than post-Hartree-Fock generalized densities. For molecules where Hartree-Fock methodology yields erroneous results, the density functional methodology is shown to yield usually more accurate densities than those provided by the second order Møller-Plesset perturbation theory
Resumo:
En aquest treball s'analitza la contribució estèrica de les molècules a les seves propietats químiques i físiques, mitjançant l'avaluació del seu volum i de la seva mesura de semblança, a partir d'ara definits com a descriptors moleculars de primer ordre. La difeèsncia entre aquests dos conceptes ha estat aclarida: mentre que el volum és la magnitud de l'espai que ocupa la molècula com a entitat global, la mesura de semblança ens dóna una idea de com està distribuïda la densitat electrònica al llarg d'aquest volum, i reflecteix més les diferències locals existents. L'ús de diverses aproximacions per a l'obtenció d'ambdós valors ha estat analitzat sobre diferents classes d'isòmers
Resumo:
Es mostra que, gracies a una extensió en la definició dels Índexs Moleculars Topològics, s'arriba a la formulació d'índexs relacionats amb la teoria de la Semblança Molecular Quàntica. Es posa de manifest la connexió entre les dues metodologies: es revela que un marc de treball teòric sòlidament fonamentat sobre la teoria de la Mecànica Quàntica es pot connectar amb una de les tècniques més antigues relacionades amb els estudis de QSPR. Es mostren els resultats per a dos casos d'exemple d'aplicació d'ambdues metodologies
Resumo:
Es descriu l'aproximació de Capes Atòmiques dins de la teoria de la Semblança Molecular Quàntica. Partint només de dades teòriques, s'ha trobat una relació entre estructura molecular i activitat biològica per a diversos conjunts de molècules. Es descriuen els aspectes teòrics de la Semblança Molecular Quàntica i alguns exemples d'aplicació
Resumo:
La present tesi està centrada en l'ús de la Teoria de Semblança Quàntica per a calcular descriptors moleculars. Aquests descriptors s'utilitzen com a paràmetres estructurals per a derivar correlacions entre l'estructura i la funció o activitat experimental per a un conjunt de compostos. Els estudis de Relacions Quantitatives Estructura-Activitat són d'especial interès per al disseny racional de molècules assistit per ordinador i, en particular, per al disseny de fàrmacs. Aquesta memòria consta de quatre parts diferenciades. En els dos primers blocs es revisen els fonaments de la teoria de semblança quàntica, així com l'aproximació topològica basada en la teoria de grafs. Ambdues teories es fan servir per a calcular els descriptors moleculars. En el segon bloc, s'ha de remarcar la programació i implementació de programari per a calcular els anomenats índexs topològics de semblança quàntica. La tercera secció detalla les bases de les Relacions Quantitatives Estructura-Activitat i, finalment, el darrer apartat recull els resultats d'aplicació obtinguts per a diferents sistemes biològics.