Graph-Based Feature Selection Approach for Molecular Activity Prediction

In the construction of QSAR models for the prediction of molecular activity, feature selection is a common task aimed at improving the results and understanding of the problem. The selection of features allows elimination of irrelevant and redundant features, reduces the effect of dimensionality problems, and improves the generalization and interpretability of the models. In many feature selection applications, such as those based on ensembles of feature selectors, it is necessary to combine different selection processes. In this work, we evaluate the application of a new feature selection approach to the prediction of molecular activity, based on the construction of an undirected graph to combine base feature selectors. The experimental results demonstrate the efficiency of the graph-based method in terms of the classification performance, reduction, and redundancy compared to the standard voting method. The graph-based method can be extended to different feature selection algorithms and applied to other cheminformatics problems

Effects of Molecular Representation in Predicting the Biological Activity using SVM and PLS Approaches

In this work we study and analyze the behavior of different representational spaces for molecular activity prediction. Representational spaces based on fingerprint similarity, structural similarity using maximum common subgraphs (MCS) and all maximum common subgraphs (AMCS) approaches are compared against representational spaces based on structural fragments and non-isomorphic fragments (NIF), built using different molecular descriptors. Support vector machine is used to study the influence of molecular representation in the dataset classification and PLS regression is proposed to construct a QSAR model for the molecular activity predictio

State of the Art, Trends and Future of Bluetooth Low Energy, Near Field Communication and Visible Light Communication in the Development of Smart Cities

The current social impact of new technologies has produced major changes in all areas of society, creating the concept of a smart city supported by an electronic infrastructure, telecommunications and information technology. This paper presents a review of Bluetooth Low Energy (BLE), Near Field Communication (NFC) and Visible Light Communication (VLC) and their use and influence within different areas of the development of the smart city. The document also presents a review of Big Data Solutions for the management of information and the extraction of knowledge in an environment where things are connected by an “Internet of Things” (IoT) network. Lastly, we present how these technologies can be combined together to benefit the development of the smart city

A New Clustering Algorithm Based on Pattern Extraction in Molecular Fingerprints

In this paper an algorithm for the extraction of patterns in chemical fingerprints is described. As input this algorithm uses a fingerprint representation of the molecule dataset, generating a group of consistent disjoint patterns also represented as binary arrays, which are satisfied by not necessarily disjoint subsets of molecules in the dataset. The algorithm has been completely developed in Java, allowing its integration into free applications of computational chemistry. The algorithm has been tested, and the use of the patterns instead of the original fingerprints has presented an increase in the efficiency in the processes of datasets classification. The results show that it is possible to reconstruct the original fingerprints using the final group of patterns that characterize all the elements of the dataset

BiViCyT: Biblioteca Virtual de Documentos Científicos y Técnicos

In this paper a Web information system devoted to the administration of scientific and technicians documents that are produced by the university community is presented. BiViCyT allows the management of tha administrative information related with some types of documents as research works, thesis and end career projects, as well as the storage and recovery of any type of multimedia information related with these documents, and consistent in files containing the manuscript, graphics, videos, texts sources and applications software, etc., which should accompany this type of scientific or technician material. This digital information can be consulted and discharged by Internet through a secure system, facilitating the access to it for the university community.En este trabajo se presenta un sistema de información Web destinado a la gestión de documentos científicos y técnicos que son producidos por a comunidad unviersitaria. BiBiCyt permite la gestión de la información administrativa relacionada con algunos tipos de documentos como tesinas, tesis y proyectos fin de carrera, así como el almacenamiento y recuperación de cualquier tipo de información multimedia relacionada con estos documentos, consistente en archivos conteniendo la memoria, gráficas, vídeos, textos fuentes y aplicaciones software, etc., que pueden acompañar a este tipo de material científico o técnico. Esta información digital puede ser consultada y descargada por Internet a través de un sistema seguro, facilitando el acceso a la misma por la comunidad universitaria

Analysis of dynamic reliability surveillance: a case study

In this paper a reliability model based on artificial neural networks and the generalized renewal process is developed. The model is used for failure prediction, and is able to dynamically adapt to changes in the operating and environmental conditions of assets. The model is implemented for a thermal solar power plant, focusing on critical elements of these plants: heat transfer fluid pumps. We affirm that this type of model can be easily automated within the plant’s remote monitoring system. Using this model we can dynamically assign reference values for warnings and alarms and provide predictions of asset degradation. These in turn can be used to evaluate the associated economic risk to the system under existing operating conditions and to inform preventive maintenance activitie

Especificación del proceso de desarrollo de un sistema para la realización de tutorías virtuales como herramienta de ayuda en la consolidación de los criterios de Bolonia

The main objective of this work is to serve as help in the learning process of the student community in agreement with the new teaching philosophy established in the Spanish Universities for the adjustment of the different University studies to the programs baaed on credits and they centred in the necessary student effort for the attainment of the objectives of a program based on ECTS credits (European Credits Trnasfer System). The system described in this paper has as purpose the help in the student-teacher remote comminication by means of the simulation of the real dialogue developed along the academic course. This system commucicates in real time, from distant locations, a professor to one or several students registered in the subjects teaching by this professor. In this way, the system allows the student-teacher interaction with the purpose of simulating the real dialogue. Also, the system incorporates a tutorial manager, a calendar for the requesting, notification and to management of the tutorial, and a report tool for the tutorial register, dialogue pursuit and reports printing giving to the professor (and students) a high quality educational support.El objetivo principal de este trabajo es servir de ayuda en el proceso de aprendizaje de la comunidad estudiantil de acuerdo a la nueva filosofía de enseñanza que se está estableciendo en las Universidades Españolas para el ajuste de las curriculas de las diferentes titulaciones al programa de educación basado en créditos y centrado en la carga de trabajo del estudiante necesaria para la consecución de los objetivos de un programa de créditos ECTS (European Credits Transfer System). El sistema descrito en este trabajo tiene como propósito la ayuda en la comunicación a distancia profesor-alumno mediante la simulación de las tutorías presenciales que se desarrollan a lo largo del curso académico. Este sistema deberá poner en contacto desde ubicaciones distantes a un profesor y a uno o varios alumnos matriculados en las asignaturas impartidas por dicho profesor, en tiempo real y permitir la interacción entre ellos, con el fin de simular el proceso de diálogo de una tutoría presencial. Además, el sistema incorpora un gestor de tutorías, una agenda que se encarga de la petición, recordatorio y gestión de las mismas, y un gestor de informes que lleva a cabo el registro, seguimiento e impresión de informes aportando al profesor ( y alumnos) un material docente de alta calidad

SWFAD-IOT: System Support for Teaching in an IoT Environment

El presente trabajo muestra el desarrollo e implementación de un sistema de apoyo a la docencia mediante la web física en un entorno del Internet de las Cosas (IoT). El sistema está orientado al desarrollo de actividades académicamente dirigidas que potencien el trabajo por competencias y al diseño de acciones destinadas a mejorar los procesos de evaluación, potenciando la evaluación continua y la autoevaluación de los alumnos. Con buenos resultados se implementaron varios casos de uso para evaluar el sistema, construyendo una aplicación software que permite una interacción natural del alumno con el entorno docente que le rodea.The present work shows the design and implementation of a support system for teaching through the physical web in an environment of the Internet of Things (IoT). The system is oriented to the development of academically directed activities that promote the work by competences and the design of actions destined to improve the evaluation processes, promoting the continuous evaluation and the self-evaluation of the students. With good results, several use cases were implemented to evaluate the system, building a software application that allows a natural interaction of the student with the surrounding teaching environment

Captación y fidelización de turistas mediante gadgets NFC

The attracting and loyalty of tourists is a complex task in which large and small tour operators, companies and institutions devote their efforts using strategies, generally based on discounts, promotions and multimedia advertising. Techniques of mass dissemination, few tailored to the end target, with low impact and with the difficulty of measuring the success achieved.Near Field Communication technology (NFC) has experienced a large presence in the last two years and it will be the usual method of payment in 2020, it can also be an ideal tool for the engagement of tourists and the evaluation of promotional strategies and tourist offers.In this paper, we discuss a solution based on the use of NFC gadgets as a method of communication with tourists. Companies and institutions achieve and possibly attract tourist through NFC gadgets. These gadgets offer its owner a set of applications for personal use that are of interest for himself/herself and which do not require the installation of a mobile application.Through a service platform that will be described in this paper, companies can associate in a personalized way, every gadget, or groups of gadgets, a gift (the gift) consisting of any offers or promotional information which can be updated according to the established business strategy, being viewed by any user each time he/she touches the gadget.Gifts can include any type of multimedia information, satisfaction surveys, coupons and deals, etc., that can be accessed by the owner of the gadget or any user who touches the gadget using an NFC device.The solution is based on an open service that generates dynamic web applications. These applications can be associated with the gadget at any time and personalized by the gadget owner. In addition, this platform integrates notification systems through several instant messaging applications and social networks that allow alerting the user so that he touches the gadget for the reception of a new gift.The collection of user behaviour for any user interaction with the gift, and by means of surveys, enables companies to customize their offers and to improve their attracting and loyalty strategies.La captación y fidelización del turista es una tarea compleja en la que grandes y pequeños turoperadores, empresas e instituciones dedican sus esfuerzos utilizando estrategias, generalmente, basadas en descuentos, promociones y publicidad multimedios. Siendo estas técnicas de difusión masivas, poco personalizadas al target final, con bajos índices de impacto y con dificultad de medición del éxito alcanzado.La tecnología Near Field Communication (NFC) que ha experimentado una gran implantación en los últimos dos años y que será el medio de pago habitual en el 2020, puede también ser una herramienta idónea para la captación y fidelización del turista y la evaluación de las estrategias promocionales y ofertas turísticas.En este trabajo presentamos una solución basada en el uso de gadgets NFC como medio de comunicación con el turista. Empresas e instituciones alcanzan y, posiblemente, captan al turista  mediante gadgets NFC. Estos gadgets ofrecen a su portador una serie de aplicaciones de uso personal que son de su interés y que no requieren de la instalación de una aplicación móvil.A través de una plataforma de servicios que describiremos en este trabajo, las empresas e instituciones pueden asociar, de forma personalizada, a cada gadget o grupos de gadgets un regalo (the gift) consistente en cualquier oferta o información promocional, las cuales pueden ser actualizadas de acuerdo a la estrategia comercial establecida, siendo visualizada por el usuario cada vez que toca el gadget.Los regalos pueden incluir cualquier tipo de información multimedia, encuestas de satisfacción, cupones y ofertas, etc., que pueden ser accedidos por el propietario del gadget o cualquier usuario que toque el gadget con un dispositivo NFC.La solución se basa en una plataforma abierta de servicios que generan aplicaciones Webs dinámicas que pueden ser asociadas al gadget en cualquier momento y personalizadas por el propietario. Además, esta plataforma integra sistemas de notificaciones a través de diferentes aplicaciones de mensajería instantánea y redes sociales que permiten alertar al propietario del gadget de la recepción de un nuevo regalo.La recolección del comportamiento de los usuarios ante cualquier interacción del usuario con el regalo y mediante encuestas sobre el mismo, posibilita a las empresas e instituciones la personalización de sus ofertas y la mejora en sus estrategias de captación y fidelización

SWFAD-IOT: Sistema de Apoyo a la Docencia en un Entorno IoT

El presente trabajo muestra el desarrollo e implementación de un sistema de apoyo a la docencia mediante la web física en un entorno del Internet de las Cosas (IoT). El sistema está orientado al desarrollo de actividades académicamente dirigidas que potencien el trabajo por competencias y al diseño de acciones destinadas a mejorar los procesos de evaluación, potenciando la evaluación continua y la autoevaluación de los alumnos. Con buenos resultados se implementaron varios casos de uso para evaluar el sistema, construyendo una aplicación software que permite una interacción natural del alumno con el entorno docente que le rodea