Computer-aided drug design and ADMET predictions for identification and evaluation of novel potential farnesyltransferase inhibitors in cancer therapy

We have used various computational methodologies including molecular dynamics, density functional theory, virtual screening, ADMET predictions and molecular interaction field studies to design and analyze four novel potential inhibitors of farnesyltransferase (FTase). Evaluation of two proposals regarding their drug potential as well as lead compounds have indicated them as novel promising FTase inhibitors, with theoretically interesting pharmacotherapeutic profiles, when Compared to the very active and most cited FTase inhibitors that have activity data reported, which are launched drugs or compounds in clinical tests. One of our two proposals appears to be a more promising drug candidate and FTase inhibitor, but both derivative molecules indicate potentially very good pharmacotherapeutic profiles in comparison with Tipifarnib and Lonafarnib, two reference pharmaceuticals. Two other proposals have been selected with virtual screening approaches and investigated by LIS, which suggest novel and alternatives scaffolds to design future potential FTase inhibitors. Such compounds can be explored as promising molecules to initiate a research protocol in order to discover novel anticancer drug candidates targeting farnesyltransferase, in the fight against cancer. (C) 2009 Elsevier Inc. All rights reserved.

Supporting content-based image retrieval and computer-aided diagnosis systems with association rule-based techniques

In this work, we take advantage of association rule mining to support two types of medical systems: the Content-based Image Retrieval (CBIR) systems and the Computer-Aided Diagnosis (CAD) systems. For content-based retrieval, association rules are employed to reduce the dimensionality of the feature vectors that represent the images and to improve the precision of the similarity queries. We refer to the association rule-based method to improve CBIR systems proposed here as Feature selection through Association Rules (FAR). To improve CAD systems, we propose the Image Diagnosis Enhancement through Association rules (IDEA) method. Association rules are employed to suggest a second opinion to the radiologist or a preliminary diagnosis of a new image. A second opinion automatically obtained can either accelerate the process of diagnosing or to strengthen a hypothesis, increasing the probability of a prescribed treatment be successful. Two new algorithms are proposed to support the IDEA method: to pre-process low-level features and to propose a preliminary diagnosis based on association rules. We performed several experiments to validate the proposed methods. The results indicate that association rules can be successfully applied to improve CBIR and CAD systems, empowering the arsenal of techniques to support medical image analysis in medical systems. (C) 2009 Elsevier B.V. All rights reserved.

Desenvolvimento do pensamento computacional com recurso ao Scratch: uma experiência com alunos do 8ºano

Relatório de estágio de mestrado em Ensino de Informática

Competencias Profesionales

En el entorno del ejercicio profesional, las destrezas, los valores y actitudes personales, tienen un papel relevante y complementario al de los conocimientos. Este es el motivo de que la enseñanza basada en competencias, como una combinación de saber, ser, hacer y estar con otros, esté en la línea deseada. En este sentido, las universidades han estado elaborando nuevos planes de estudio en los que se desarrollan los nuevos Grados de acuerdo al EEES, incluyendo en estos, las competencias genéricas de cada titulación, que en general, se ciñen a las propuestas presentadas en el proyecto Tuning 2003.La investigación llevada a cabo sobre la competencia comunicativa escrita en el Grado de Ingeniería en Informática, se ha centrado en universidades de toda la geografía española. La información se ha analizado en función de dos marcos de clasificación: el marco curricular (planes de estudio y memorias de verificación de Grado) y el marco de evaluación (rúbricas).La investigación ha corroborado, que la competencia comunicativa escrita, una competencia instrumental genérica que está en el grupo de las destrezas lingüísticas, se trabaja de forma natural en una variedad de asignaturas repartidas a lo largo de los planes de estudio del Grado de Ingeniería en Informática, hecho que favorece la consecución de esta competencia. Aunque solo alrededor de un 20% de los planes de estudio analizados presentan una asignatura, la cual, uno de sus objetivos principales sea la de favorecer la competencia comunicativa escrita, se entiende, además de por la transversalidad de la competencia comunicativa escrita en un plan de estudios TIC, porque esta competencia, como se ha señalado, se puede trabajar de forma eficaz dentro de las metodologías de otras asignaturas.La investigación nos ha llevado a la conclusión, de que un futuro Graduado en Ingeniería Informática de una universidad española, presentará suficiencia en la competencia comunicativa escrita, ya que en esa dirección apuntan las referencias analizadas. El uso de rúbricas se hace necesario para evaluar el aprendizaje de dicha competencia, ya que sin evaluación, no hay posibilidad de constatar si realmente se alcanzan los niveles de calidad deseados.El modelo educativo que propone la UOC, permite que se desarrollen de forma preeminente una serie de competencias transversales, que resultan básicas a la hora de enfrentarse a los retos que nos propone la sociedad, preparando a profesionales, además de con los conocimientos técnicos propios de un Ingeniero en Informática, con las habilidades y competencias transversales necesarias que completan su formación técnica.

Curriculum Vitae Normalizado. Jornada técnica sobre CRIS y repositorios

Izascun Lacunza y David Arellano, FECYT, presentaron el proyecto CVN para la creación de un modelo normalizado de CV de investigador a partir de los datos almacenados en los sistemas CRIS institucionales. El modelo CVN se encuentra en la actualidad implementado en 32 universidades españolas, dando servicio a más de 18.500 investigadores de dichas instituciones, lo que supone un 14% del total de investigadores del Sistema Español de Ciencia y Tecnología (SECT), y hay planes para extender su implantación a más universidades y a más personal científico en aquéllas en las que ya está en marcha.

Teaching mathematics and programming : new approaches with empirical evaluation

Programming and mathematics are core areas of computer science (CS) and consequently also important parts of CS education. Introductory instruction in these two topics is, however, not without problems. Studies show that CS students find programming difficult to learn and that teaching mathematical topics to CS novices is challenging. One reason for the latter is the disconnection between mathematics and programming found in many CS curricula, which results in students not seeing the relevance of the subject for their studies. In addition, reports indicate that students' mathematical capability and maturity levels are dropping. The challenges faced when teaching mathematics and programming at CS departments can also be traced back to gaps in students' prior education. In Finland the high school curriculum does not include CS as a subject; instead, focus is on learning to use the computer and its applications as tools. Similarly, many of the mathematics courses emphasize application of formulas, while logic, formalisms and proofs, which are important in CS, are avoided. Consequently, high school graduates are not well prepared for studies in CS. Motivated by these challenges, the goal of the present work is to describe new approaches to teaching mathematics and programming aimed at addressing these issues: Structured derivations is a logic-based approach to teaching mathematics, where formalisms and justifications are made explicit. The aim is to help students become better at communicating their reasoning using mathematical language and logical notation at the same time as they become more confident with formalisms. The Python programming language was originally designed with education in mind, and has a simple syntax compared to many other popular languages. The aim of using it in instruction is to address algorithms and their implementation in a way that allows focus to be put on learning algorithmic thinking and programming instead of on learning a complex syntax. Invariant based programming is a diagrammatic approach to developing programs that are correct by construction. The approach is based on elementary propositional and predicate logic, and makes explicit the underlying mathematical foundations of programming. The aim is also to show how mathematics in general, and logic in particular, can be used to create better programs.

Writing and science connections : integrated instruction and assessment

Learning to write is a daunting task for many young children. The purpose of this study was to examine the impact of a combined approach to writing instruction and assessment on the writing performance of students in two grade 3 classes. Five forms and traits of writing were purposefully connected during writing lessons while exhibiting links to the four strands of the grade 3 Ontario science curriculum. Students then had opportunities to engage in the writing process and to self-assess their compositions using either student-developed (experimental group/teacher-researcher's class) or teachercreated (control group/teacher-participant's class) rubrics. Paired samples t-tests revealed that both the experimental and control groups exhibited statistically significant growth from pretest to posttest on all five integrated writing units. Independent samples t-tests showed that the experimental group outperformed the control group on the persuasive + sentence fluency and procedure + word choice writing tasks. Pearson product-moment correlation r tests revealed significant correlations between the experimental group and the teacher-researcher on the recount + ideas and report + organization tasks, while students in the control group showed significant correlations with the teacher-researcher on the narrative + voice and procedure + word choice tasks. Significant correlations between the control group and the teacher-participant were evident on the persuasive + sentence fluency and procedure + word choice tasks. Qualitative analyses revealed five themes that highlighted how students' self-assessments and reflections can be used to guide teachers in their instructional decision making. These findings suggest that educators should adopt an integrated writing program in their classrooms, while working with students to create and utilize purposeful writing assessment tools.

Impact of Information Communication Technology (ICT) on Professional Development and Educational Needs of Library Professionals in the Universities of Kerala

The shift from print to digital information has a high impact on all components of the academic library system in India especially the users, services and the staff. Though information is considered as an important resource, the use of ICT tools to collect and disseminate information has been in a slow pace in majority of the University libraries This may be due to various factors like insufficient funds, inadequate staff trained in handling computers and software packages, administrative concerns etc. In Kerala, automation has been initiated in almost all University libraries using library automation software and is under different stages of completion. There are not much studies conducted about the effects of information communication technologies on the professional activities of library professionals in the universities in Kerala. It is important to evaluate whether progress in ICT has had any impact on the library profession in these highest educational institutions. The aim of the study is to assess whether the developments in information communication technologies have any influence on the library professionals’ professional development, and the need for further education and training in the profession and evaluate their skills in handling developments in ICT. The total population of the study is 252 including the permanently employed professional library staff in central libraries and departmental libraries in the main campuses of the universities under study. This is almost a census study of the defined population of users. The questionnaire method was adopted for collection of data for this study, supplemented by interviews of Librarians to gather additional information. Library Professionals have a positive approach towards ICT applications and services in Libraries, but majority do not have the opportunities to develop their skills and competencies in their work environment. To develop competitive personnel in a technologically advanced world, high priority must be given to develop competence in ICT applications, library management and soft skills in library professionals, by the University administrators and Library associations. Library science schools and teaching departments across the country have to take significant steps to revise library science curriculum, and incorporate significant changes to achieve the demands and challenges of library science profession.

An Alternative Approach To Computer System Security Monitoring And Enhancement Through System Call Sequence Analysis

Modern computer systems are plagued with stability and security problems: applications lose data, web servers are hacked, and systems crash under heavy load. Many of these problems or anomalies arise from rare program behavior caused by attacks or errors. A substantial percentage of the web-based attacks are due to buffer overflows. Many methods have been devised to detect and prevent anomalous situations that arise from buffer overflows. The current state-of-art of anomaly detection systems is relatively primitive and mainly depend on static code checking to take care of buffer overflow attacks. For protection, Stack Guards and I-leap Guards are also used in wide varieties.This dissertation proposes an anomaly detection system, based on frequencies of system calls in the system call trace. System call traces represented as frequency sequences are profiled using sequence sets. A sequence set is identified by the starting sequence and frequencies of specific system calls. The deviations of the current input sequence from the corresponding normal profile in the frequency pattern of system calls is computed and expressed as an anomaly score. A simple Bayesian model is used for an accurate detection.Experimental results are reported which show that frequency of system calls represented using sequence sets, captures the normal behavior of programs under normal conditions of usage. This captured behavior allows the system to detect anomalies with a low rate of false positives. Data are presented which show that Bayesian Network on frequency variations responds effectively to induced buffer overflows. It can also help administrators to detect deviations in program flow introduced due to errors.

Journal Productivity in Fishery Science - An Informetric Analysis

This thesis Entitled Journal productivity in fishery science an informetric analysis.The analyses and formulating results of the study, the format of the thesis was determined. The thesis is divided into different chapters mentioned below. Chapter 1 gives an overview on the topic of research. Introduction gives the relevance of topic, define the problem, objectives of the study, hypothesis, methods of data collection, analysis and layout of the thesis. Chapter 2 provides a detailed account of the subject Fishery science and its development. A comprehensive outline is given along with definition, scope, classification, development and sources of information.Method of study used in this research and its literature review form the content of this chapter. Chapter 4 Details of the method adopted for collecting samples for the study, data collection and organization of the data are given. The methods are based on availability of data, period and objectives of the research undertaken.The description, analyses and the results of the study are covered in this chapter.

A study of the information seeking bebavior of science and technology teachers and researchers of Cocbin University of Science and Technology and University of Kerala in the cbanged library environment

Information communication technology (IC T) has invariably brought about fundamental changes in the way in which libraries gather. preserve and disseminate information. The study was carried out with an aim to estimate and compare the information seeking behaviour (ISB) of the academics of two prominent universities of Kerala in the context of advancements achieved through ICT. The study was motivated by the fast changing scenario of libraries with the proliferation of many high tech products and services. The main purpose of the study was to identify the chief source of information of the academics, and also to examine academics preference upon the form and format of information source. The study also tries to estimate the adequacy of the resources and services currently provided by the libraries.The questionnaire was the central instrument for data collection. An almost census method was adopted for data collection engaging various methods and tools for eliciting data.The total population of the study was 957, out of which questionnaire was distributed to 859 academics. 646 academics responded to the survey, of which 564 of them were sound responses. Data was coded and analysed using Statistical Package for Social Sciences (SPSS) software and also with the help of Microsofl Excel package. Various statistical techniques were engaged to analyse data. A paradigm shift is evident by the fact that academies push themselves towards information in internet i.e. they prefer electronic source to traditional source and the very shift is coupled itself with e-seeking of information. The study reveals that ISB of the academics is influenced priman'ly by personal factors and comparative analysis shows that the ISB ofthc academics is similar in both universities. The productivity of the academics was tested to dig up any relation with respect to their ISB, and it is found that productivity of the academics is extensively related with their ISB. Study also reveals that the users ofthe library are satisfied with the services provided but not with the sources and in conjunction, study also recommends ways and means to improve the existing library system.

Why are There so Few Female Computer Scientists?

This report examines why women pursue careers in computer science and related fields far less frequently than men do. In 1990, only 13% of PhDs in computer science went to women, and only 7.8% of computer science professors were female. Causes include the different ways in which boys and girls are raised, the stereotypes of female engineers, subtle biases that females face, problems resulting from working in predominantly male environments, and sexual biases in language. A theme of the report is that women's underrepresentation is not primarily due to direct discrimination but to subconscious behavior that perpetuates the status quo.

TU Graz: Course: 707.000 Web Science and Web Technology: Lecture 1

In this class, we will discuss the course organization and provide a basic motivation for and introduction to the course. Readings: Web science: a provocative invitation to computer science, B. Shneiderman, Communications of the ACM 50 25--27 (2007) [Web link] Readings: Chapter 1 & 2, A Framework for Web Science, T. Berners-Lee and W. Hall and J. A. Hendler and K. O'Hara and N. Shadbolt and D. J. Weitzner Foundations and Trends® in Web Science 1 (2006) [Web link] Originally from: http://kmi.tugraz.at/staff/markus/courses/SS2008/707.000_web-science/

INFO2009 2012-13 Resource Group 15 - Web Science

Web Science - Group 15 created an interactive infographic which informs prospective applicants about the new Web Science undergraduate degrees offered at the University of Southampton, starting in October 2013. Web Science as a new and exciting field of research is also briefly outlined, supported by two video interviews with Dr Les Car, a web scientist.