64 resultados para 030404 Cheminformatics and Quantitative Structure-Activity Relationships


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This paper describes the approach taken to the clustering task at INEX 2009 by a group at the Queensland University of Technology. The Random Indexing (RI) K-tree has been used with a representation that is based on the semantic markup available in the INEX 2009 Wikipedia collection. The RI K-tree is a scalable approach to clustering large document collections. This approach has produced quality clustering when evaluated using two different methodologies.

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This research investigated students' construction of knowledge about the topics of magnetism and electricity emergent from a visit to an interactive science centre and subsequent classroom-based activities linked to the science centre exhibits. The significance of this study is that it analyses critically an aspect of school visits to informal learning centres that has been neglected by researchers in the past, namely the influence of post-visit activities in the classroom on subsequent learning and knowledge construction. Employing an interpretive methodology, the study focused on three areas of endeavour. Firstly, the establishment of a set of principles for the development of post-visit activities, from a constructivist framework, to facilitate students' learning of science. Secondly, to describe and interpret students' scientific understandings : prior t o a visit t o a science museum; following a visit t o a science museum; and following post-visit activities that were related to their museum experiences. Finally, to describe and interpret the ways in which students constructed their understandings: prior to a visit to a science museum; following a visit to a science museum; and following post-visit activities directly related to their museum experiences. The study was designed and implemented in three stages: 1) identification and establishment of the principles for design and evaluation of post-visit activities; 2) a pilot study of specific post-visit activities and data gathering strategies related to student construction of knowledge; and 3) interpretation of students' construction of knowledge from a visit to a science museum and subsequent completion of post-visit activities, which constituted the main study. Twelve students were selected from a year 7 class to participate in the study. This study provides evidence that the series of post-visit activities, related to the museum experiences, resulted in students constructing and reconstructing their personal knowledge of science concepts and principles represented in the science museum exhibits, sometimes towards the accepted scientific understanding and sometimes in different and surprising ways. Findings demonstrate the interrelationships between learning that occurs at school, at home and in informal learning settings. The study also underscores for teachers and staff of science museums and similar centres the importance of planning pre- and post-visit activities, not only to support the development of scientific conceptions, but also to detect and respond to alternative conceptions that may be produced or strengthened during a visit to an informal learning centre. Consistent with contemporary views of constructivism, the study strongly supports the views that : 1) knowledge is uniquely structured by the individual; 2) the processes of knowledge construction are gradual, incremental, and assimilative in nature; 3) changes in conceptual understanding are can be interpreted in the light of prior knowledge and understanding; and 4) knowledge and understanding develop idiosyncratically, progressing and sometimes appearing to regress when compared with contemporary science. This study has implications for teachers, students, museum educators, and the science education community given the lack of research into the processes of knowledge construction in informal contexts and the roles that post-visit activities play in the overall process of learning.

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Business processes have emerged as a well-respected variable in the design of successful corporations. However, unlike other key managerial variables, such as products and services, customers and employees, physical or digital assets, the conceptualization and management of business processes are in many respects in their infancy. In this book, Jan Recker investigates the notion of quality of business process modeling grammars. His evaluation is based on an ontological-, qualitative-, and quantitative analysis, applied to BPMN, a widely-used business process modeling grammar. His results reveal the ontological shortcomings of BPMN and how these manifest themselves in actual process modeling practice, as well as how they influence the usage behavior of modeling practitioners. More generally, his book constitutes a landmark for empirical technology assessment, analyzing the way in which design flaws in technology influence usage behavior.

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The affects associated with culture, the values inherent in cultures and the identification of cultural assumptions are popular topics in recent management and Information Systems (IS) research. The main focus in relevant IS research over the years, has been on the comparison of cultural artifacts in different cultural settings. Despite these studies we need to ask whether there is a general approach to how culture can be researched in a rigorous manner? What are the issues that arise in cross- cultural research that have a bearing on decisions about a suitable research approach? What are the most appropriate methodologies to be used in cross-cultural research? Which is more appropriate, a qualitative, a quantitative or a mixed- method research approach? This paper will discuss important considerations in the process of deciding on the best research approach for cross-cultural projects. A case study will be then be reported as an example revealing the merits of integrating qualitative and quantitative approaches followed by a thorough discussion on the issues which may arise during this process.

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To date, little is known about the function of gratitude in romantic relationships. Being grateful has been demonstrated to provide a number of positive benefits for individuals; however, few studies have explored how grateful experiences may be beneficial in enhancing romantic relationships. This study explored the extent to which adult attachment moderates the relationship between dispositional gratitude and the experience of intimacy within romantic relationships. A greater disposition toward gratitude was expected to result in more frequent experiences of gratitude. It was also anticipated that experiences of gratitude would be associated with feelings of closeness. Participants (n = 156) were required to be currently in a relationship of at least six months duration and completed a series of questionnaires assessing dispositional gratitude, attachment and emotional intimacy. Moderation analysis revealed that although a positive, weak correlation existed between dispositional gratitude and intimacy, attachment did not moderate this association. It was concluded that further investigation of the experience of gratitude is necessary to understand the function of gratitude in romantic relationships. Methods focusing on specific experiences of gratitude in romantic relationships, and the associated feelings of closeness experienced by each partner, may yield more conclusive findings and may provide support for therapeutic approaches focused on enhancing closeness between couples by increasing experiences of gratitude.

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This study proposed that levels of dispositional gratitude influence experiences of intimacy within romantic relationships and that this influence is moderated by relationship attachment. Gratitude, in this study, was described as feelings of appreciation associated with the perception that one had been the focus of another’s intentionally beneficial actions. A greater disposition toward gratitude was expected to result in more frequent experiences of gratitude. It was also anticipated that experiences of gratitude would be associated with feelings of closeness toward the one responsible for the beneficial act. Participants (n=156) ranged in age from 18 – 70 and, although required to be currently in a relationship of at least six months’ duration, each was studied as an individual. Participants included both males and females, in same-sex or other-sex relationships, and completed a series of questionnaires assessing dispositional gratitude, attachment and emotional intimacy. Moderation analysis was conducted using hierarchical regression and revealed that although a positive, weak correlation exists between gratitude and intimacy, attachment did not moderate that association. However, the measures used did not elicit sufficiently divergent responses. Thus neither complete exploration of the proposed association between gratitude and intimacy, nor of the moderation of that association by attachment were possible. In conclusion, further investigation of experiences of gratitude, particularly in relation to enhancing feelings of closeness, is necessary to understand the function of gratitude in romantic relationships. Methods focusing on specific experiences of gratitude in romantic relationships and the associated feelings of closeness experienced by each partner may yield more conclusive findings. In addition, such findings may provide support for therapeutic approaches focused on enhancing closeness between couples by increasing experiences of gratitude.

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Background The majority of peptide bonds in proteins are found to occur in the trans conformation. However, for proline residues, a considerable fraction of Prolyl peptide bonds adopt the cis form. Proline cis/trans isomerization is known to play a critical role in protein folding, splicing, cell signaling and transmembrane active transport. Accurate prediction of proline cis/trans isomerization in proteins would have many important applications towards the understanding of protein structure and function. Results In this paper, we propose a new approach to predict the proline cis/trans isomerization in proteins using support vector machine (SVM). The preliminary results indicated that using Radial Basis Function (RBF) kernels could lead to better prediction performance than that of polynomial and linear kernel functions. We used single sequence information of different local window sizes, amino acid compositions of different local sequences, multiple sequence alignment obtained from PSI-BLAST and the secondary structure information predicted by PSIPRED. We explored these different sequence encoding schemes in order to investigate their effects on the prediction performance. The training and testing of this approach was performed on a newly enlarged dataset of 2424 non-homologous proteins determined by X-Ray diffraction method using 5-fold cross-validation. Selecting the window size 11 provided the best performance for determining the proline cis/trans isomerization based on the single amino acid sequence. It was found that using multiple sequence alignments in the form of PSI-BLAST profiles could significantly improve the prediction performance, the prediction accuracy increased from 62.8% with single sequence to 69.8% and Matthews Correlation Coefficient (MCC) improved from 0.26 with single local sequence to 0.40. Furthermore, if coupled with the predicted secondary structure information by PSIPRED, our method yielded a prediction accuracy of 71.5% and MCC of 0.43, 9% and 0.17 higher than the accuracy achieved based on the singe sequence information, respectively. Conclusion A new method has been developed to predict the proline cis/trans isomerization in proteins based on support vector machine, which used the single amino acid sequence with different local window sizes, the amino acid compositions of local sequence flanking centered proline residues, the position-specific scoring matrices (PSSMs) extracted by PSI-BLAST and the predicted secondary structures generated by PSIPRED. The successful application of SVM approach in this study reinforced that SVM is a powerful tool in predicting proline cis/trans isomerization in proteins and biological sequence analysis.